N-[4-[(2S)-2-(azepan-1-ium-1-yl)propanoyl]phenyl]ethanamide

Systemtic Name: N-[4-[(2S)-2-(azepan-1-ium-1-yl)propanoyl]phenyl]ethanamide Openeye Name: N-[4-[(2S)-2-(azepan-1-ium-1-yl)propanoyl]phenyl]acetamide CAS Name: N-[4-[(2S)-2-(1-azepan-1-iumyl)-1-oxopropyl]phenyl]acetamide IUPAC Name: N-[4-[(2S)-2-(azepan-1-ium-1-yl)propanoyl]phenyl]acetamide Traditional Name: N-[4-[(2S)-2-(azepan-1-ium-1-yl)propanoyl]phenyl]acetamide Formula: C17H25N2O2+ MolecularWeight: 289.3926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O2/c1-13(19-11-5-3-4-6-12-19)17(21)15-7-9-16(10-8-15)18-14(2)20/h7-10,13H,3-6,11-12H2,1-2H3,(H,18,20)/p+1/t13-/m0/s1