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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C)[NH+]2CCCCCC2

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@H](C)[NH+]2CCCCCC2

InChI

InChI=1S/C17H26N2O2/c1-3-21-16-11-7-6-10-15(16)18-17(20)14(2)19-12-8-4-5-9-13-19/h6-7,10-11,14H,3-5,8-9,12-13H2,1-2H3,(H,18,20)/p+1/t14-/m0/s1