(2S)-2-(azepan-1-ium-1-yl)-N-[(4-methylphenyl)methyl]propanamide

Systemtic Name: (2S)-2-(azepan-1-ium-1-yl)-N-[(4-methylphenyl)methyl]propanamide Openeye Name: (2S)-2-(azepan-1-ium-1-yl)-N-(p-tolylmethyl)propanamide CAS Name: (2S)-2-(1-azepan-1-iumyl)-N-[(4-methylphenyl)methyl]propanamide IUPAC Name: (2S)-2-(azepan-1-ium-1-yl)-N-[(4-methylphenyl)methyl]propanamide Traditional Name: (2S)-2-(azepan-1-ium-1-yl)-N-(4-methylbenzyl)propionamide Formula: C17H27N2O+ MolecularWeight: 275.40908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)[NH+]2CCCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](C)[NH+]2CCCCCC2

InChI

InChI=1S/C17H26N2O/c1-14-7-9-16(10-8-14)13-18-17(20)15(2)19-11-5-3-4-6-12-19/h7-10,15H,3-6,11-13H2,1-2H3,(H,18,20)/p+1/t15-/m0/s1