2-(4-ethanoyl-1,4-diazepan-1-ium-1-yl)-N-[(1S)-1-phenylbutyl]ethanamide

Systemtic Name: 2-(4-ethanoyl-1,4-diazepan-1-ium-1-yl)-N-[(1S)-1-phenylbutyl]ethanamide Openeye Name: 2-(4-acetyl-1,4-diazepan-1-ium-1-yl)-N-[(1S)-1-phenylbutyl]acetamide CAS Name: 2-(4-acetyl-1,4-diazepan-1-ium-1-yl)-N-[(1S)-1-phenylbutyl]acetamide IUPAC Name: 2-(4-acetyl-1,4-diazepan-1-ium-1-yl)-N-[(1S)-1-phenylbutyl]acetamide Traditional Name: 2-(4-acetyl-1,4-diazepan-1-ium-1-yl)-N-[(1S)-1-phenylbutyl]acetamide Formula: C19H30N3O2+ MolecularWeight: 332.4604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O2/c1-3-8-18(17-9-5-4-6-10-17)20-19(24)15-21-11-7-12-22(14-13-21)16(2)23/h4-6,9-10,18H,3,7-8,11-15H2,1-2H3,(H,20,24)/p+1/t18-/m0/s1