(2S)-2-(azepan-1-ium-1-yl)-N-(2-methoxy-5-methyl-phenyl)propanamide

Systemtic Name: (2S)-2-(azepan-1-ium-1-yl)-N-(2-methoxy-5-methyl-phenyl)propanamide Openeye Name: (2S)-2-(azepan-1-ium-1-yl)-N-(2-methoxy-5-methyl-phenyl)propanamide CAS Name: (2S)-2-(1-azepan-1-iumyl)-N-(2-methoxy-5-methylphenyl)propanamide IUPAC Name: (2S)-2-(azepan-1-ium-1-yl)-N-(2-methoxy-5-methylphenyl)propanamide Traditional Name: (2S)-2-(azepan-1-ium-1-yl)-N-(2-methoxy-5-methyl-phenyl)propionamide Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O2/c1-13-8-9-16(21-3)15(12-13)18-17(20)14(2)19-10-6-4-5-7-11-19/h8-9,12,14H,4-7,10-11H2,1-3H3,(H,18,20)/p+1/t14-/m0/s1