N-(2-ethyl-6-methyl-phenyl)-4-oxidanylidene-4-piperazin-4-ium-1-yl-butanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-4-oxidanylidene-4-piperazin-4-ium-1-yl-butanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-4-oxo-4-piperazin-4-ium-1-yl-butanamide CAS Name: N-(2-ethyl-6-methylphenyl)-4-oxo-4-(1-piperazin-4-iumyl)butanamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-4-oxo-4-piperazin-4-ium-1-ylbutanamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-4-keto-4-piperazin-4-ium-1-yl-butyramide Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CCC(=O)N2CC[NH2+]CC2)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CCC(=O)N2CC[NH2+]CC2)C

InChI

InChI=1S/C17H25N3O2/c1-3-14-6-4-5-13(2)17(14)19-15(21)7-8-16(22)20-11-9-18-10-12-20/h4-6,18H,3,7-12H2,1-2H3,(H,19,21)/p+1