(2S)-2-(azepan-1-ium-1-yl)-N-(3-chloranyl-2-methyl-phenyl)propanamide

Systemtic Name: (2S)-2-(azepan-1-ium-1-yl)-N-(3-chloranyl-2-methyl-phenyl)propanamide Openeye Name: (2S)-2-(azepan-1-ium-1-yl)-N-(3-chloro-2-methyl-phenyl)propanamide CAS Name: (2S)-2-(1-azepan-1-iumyl)-N-(3-chloro-2-methylphenyl)propanamide IUPAC Name: (2S)-2-(azepan-1-ium-1-yl)-N-(3-chloro-2-methylphenyl)propanamide Traditional Name: (2S)-2-(azepan-1-ium-1-yl)-N-(3-chloro-2-methyl-phenyl)propionamide Formula: C16H24ClN2O+ MolecularWeight: 295.82756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(C)[NH+]2CCCCCC2

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)[C@H](C)[NH+]2CCCCCC2

InChI

InChI=1S/C16H23ClN2O/c1-12-14(17)8-7-9-15(12)18-16(20)13(2)19-10-5-3-4-6-11-19/h7-9,13H,3-6,10-11H2,1-2H3,(H,18,20)/p+1/t13-/m0/s1