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

Systemtic Name: N-(4-ethanoylphenyl)-4-oxidanylidene-4-piperazin-4-ium-1-yl-butanamide Openeye Name: N-(4-acetylphenyl)-4-oxo-4-piperazin-4-ium-1-yl-butanamide CAS Name: N-(4-acetylphenyl)-4-oxo-4-(1-piperazin-4-iumyl)butanamide IUPAC Name: N-(4-acetylphenyl)-4-oxo-4-piperazin-4-ium-1-ylbutanamide Traditional Name: N-(4-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=C(C=C1)NC(=O)CCC(=O)N2CC[NH2+]CC2

Isomeric SMILES

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

InChI

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