N-(3-ethanoylphenyl)-4-oxidanylidene-4-piperazin-4-ium-1-yl-butanamide

Systemtic Name: N-(3-ethanoylphenyl)-4-oxidanylidene-4-piperazin-4-ium-1-yl-butanamide Openeye Name: N-(3-acetylphenyl)-4-oxo-4-piperazin-4-ium-1-yl-butanamide CAS Name: N-(3-acetylphenyl)-4-oxo-4-(1-piperazin-4-iumyl)butanamide IUPAC Name: N-(3-acetylphenyl)-4-oxo-4-piperazin-4-ium-1-ylbutanamide Traditional Name: N-(3-acetylphenyl)-4-keto-4-piperazin-4-ium-1-yl-butyramide Formula: C16H22N3O3+ MolecularWeight: 304.36418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CCC(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CCC(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C16H21N3O3/c1-12(20)13-3-2-4-14(11-13)18-15(21)5-6-16(22)19-9-7-17-8-10-19/h2-4,11,17H,5-10H2,1H3,(H,18,21)/p+1