(2R)-2-(azepan-1-ium-1-yl)-N-[(phenylmethyl)carbamoyl]propanamide

Systemtic Name: (2R)-2-(azepan-1-ium-1-yl)-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: (2R)-2-(azepan-1-ium-1-yl)-N-(benzylcarbamoyl)propanamide CAS Name: (2R)-2-(1-azepan-1-iumyl)-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: (2R)-2-(azepan-1-ium-1-yl)-N-(benzylcarbamoyl)propanamide Traditional Name: (2R)-2-(azepan-1-ium-1-yl)-N-(benzylcarbamoyl)propionamide Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)[NH+]2CCCCCC2

Isomeric SMILES

C[C@H](C(=O)NC(=O)NCC1=CC=CC=C1)[NH+]2CCCCCC2

InChI

InChI=1S/C17H25N3O2/c1-14(20-11-7-2-3-8-12-20)16(21)19-17(22)18-13-15-9-5-4-6-10-15/h4-6,9-10,14H,2-3,7-8,11-13H2,1H3,(H2,18,19,21,22)/p+1/t14-/m1/s1