(2S)-2-(azepan-1-ium-1-yl)-N-(4-ethoxyphenyl)propanamide

Systemtic Name: (2S)-2-(azepan-1-ium-1-yl)-N-(4-ethoxyphenyl)propanamide Openeye Name: (2S)-2-(azepan-1-ium-1-yl)-N-(4-ethoxyphenyl)propanamide CAS Name: (2S)-2-(1-azepan-1-iumyl)-N-(4-ethoxyphenyl)propanamide IUPAC Name: (2S)-2-(azepan-1-ium-1-yl)-N-(4-ethoxyphenyl)propanamide Traditional Name: (2S)-2-(azepan-1-ium-1-yl)-N-p-phenetyl-propionamide Formula: C17H27N2O2+ MolecularWeight: 291.40848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)[NH+]2CCCCCC2

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+]2CCCCCC2

InChI

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