(2S)-2-(4-ethanoyl-1,4-diazepan-1-ium-1-yl)-N-[(1S)-1-phenylethyl]propanamide

Systemtic Name: (2S)-2-(4-ethanoyl-1,4-diazepan-1-ium-1-yl)-N-[(1S)-1-phenylethyl]propanamide Openeye Name: (2S)-2-(4-acetyl-1,4-diazepan-1-ium-1-yl)-N-[(1S)-1-phenylethyl]propanamide CAS Name: (2S)-2-(4-acetyl-1,4-diazepan-1-ium-1-yl)-N-[(1S)-1-phenylethyl]propanamide IUPAC Name: (2S)-2-(4-acetyl-1,4-diazepan-1-ium-1-yl)-N-[(1S)-1-phenylethyl]propanamide Traditional Name: (2S)-2-(4-acetyl-1,4-diazepan-1-ium-1-yl)-N-[(1S)-1-phenylethyl]propionamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(C)[NH+]2CCCN(CC2)C(=O)C

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)[C@H](C)[NH+]2CCCN(CC2)C(=O)C

InChI

InChI=1S/C18H27N3O2/c1-14(17-8-5-4-6-9-17)19-18(23)15(2)20-10-7-11-21(13-12-20)16(3)22/h4-6,8-9,14-15H,7,10-13H2,1-3H3,(H,19,23)/p+1/t14-,15-/m0/s1