A1AHL

2-chloro-N-methyl-N-[3-(10H-phenothiazin-10-yl)propyl]acetamide

Created:	2024-03-08
Last modified:	2025-05-21

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1 entries where A1AHL is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	12

2D diagram of A1AHL

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Chemical Component Summary
Name	2-chloro-N-methyl-N-[3-(10H-phenothiazin-10-yl)propyl]acetamide
Systematic Name (OpenEye OEToolkits)	2-chloranyl-~{N}-methyl-~{N}-(3-phenothiazin-10-ylpropyl)ethanamide
Formula	C₁₈ H₁₉ Cl N₂ O S
Molecular Weight	346.874
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	ClCC(=O)N(C)CCCN1c2ccccc2Sc2ccccc12
SMILES	CACTVS	3.385	CN(CCCN1c2ccccc2Sc3ccccc13)C(=O)CCl
SMILES	OpenEye OEToolkits	2.0.7	CN(CCCN1c2ccccc2Sc3c1cccc3)C(=O)CCl
Canonical SMILES	CACTVS	3.385	CN(CCCN1c2ccccc2Sc3ccccc13)C(=O)CCl
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN(CCCN1c2ccccc2Sc3c1cccc3)C(=O)CCl
InChI	InChI	1.06	InChI=1S/C18H19ClN2OS/c1-20(18(22)13-19)11-6-12-21-14-7-2-4-9-16(14)23-17-10-5-3-8-15(17)21/h2-5,7-10H,6,11-13H2,1H3
InChIKey	InChI	1.06	DGIQIBHRQRNGPY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	154871094

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