(2S)-2-(azepan-1-ium-1-yl)-N-(methylcarbamoyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-(azepan-1-ium-1-yl)-N-(methylcarbamoyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-(azepan-1-ium-1-yl)-N-(methylcarbamoyl)-2-phenyl-acetamide CAS Name: (2S)-2-(1-azepan-1-iumyl)-N-(methylcarbamoyl)-2-phenylacetamide IUPAC Name: (2S)-2-(azepan-1-ium-1-yl)-N-(methylcarbamoyl)-2-phenylacetamide Traditional Name: (2S)-2-(azepan-1-ium-1-yl)-N-(methylcarbamoyl)-2-phenyl-acetamide Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2/c1-17-16(21)18-15(20)14(13-9-5-4-6-10-13)19-11-7-2-3-8-12-19/h4-6,9-10,14H,2-3,7-8,11-12H2,1H3,(H2,17,18,20,21)/p+1/t14-/m0/s1