(4-butyl-2-oxidanylidene-piperazin-1-yl)carbonyl-(1-cyclohexa-1,4-dien-1-yl-2-oxidanyl-2-oxidanylidene-ethyl)-oxidanylidene-azanium

Systemtic Name: (4-butyl-2-oxidanylidene-piperazin-1-yl)carbonyl-(1-cyclohexa-1,4-dien-1-yl-2-oxidanyl-2-oxidanylidene-ethyl)-oxidanylidene-azanium Openeye Name: (4-butyl-2-oxo-piperazine-1-carbonyl)-(1-cyclohexa-1,4-dien-1-yl-2-hydroxy-2-oxo-ethyl)-oxo-ammonium CAS Name: [(4-butyl-2-oxo-1-piperazinyl)-oxomethyl]-[1-(1-cyclohexa-1,4-dienyl)-2-hydroxy-2-oxoethyl]-oxoammonium IUPAC Name: (4-butyl-2-oxopiperazine-1-carbonyl)-(1-cyclohexa-1,4-dien-1-yl-2-hydroxy-2-oxoethyl)-oxoazanium Traditional Name: (4-butyl-2-keto-piperazine-1-carbonyl)-(1-cyclohexa-1,4-dien-1-yl-2-hydroxy-2-keto-ethyl)-keto-ammonium Formula: C17H24N3O5+ MolecularWeight: 350.38956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(C(=O)C1)C(=O)[N+](=O)C(C2=CCC=CC2)C(=O)O

Isomeric SMILES

CCCCN1CCN(C(=O)C1)C(=O)[N+](=O)C(C2=CCC=CC2)C(=O)O

InChI

InChI=1S/C17H23N3O5/c1-2-3-9-18-10-11-19(14(21)12-18)17(24)20(25)15(16(22)23)13-7-5-4-6-8-13/h4-5,8,15H,2-3,6-7,9-12H2,1H3/p+1