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

Systemtic Name: (1-cyclohexa-1,4-dien-1-yl-2-oxidanyl-2-oxidanylidene-ethyl)-oxidanylidene-(2-oxidanylidene-4-propyl-piperazin-1-yl)carbonyl-azanium Openeye Name: (1-cyclohexa-1,4-dien-1-yl-2-hydroxy-2-oxo-ethyl)-oxo-(2-oxo-4-propyl-piperazine-1-carbonyl)ammonium CAS Name: [1-(1-cyclohexa-1,4-dienyl)-2-hydroxy-2-oxoethyl]-oxo-[oxo-(2-oxo-4-propyl-1-piperazinyl)methyl]ammonium IUPAC Name: (1-cyclohexa-1,4-dien-1-yl-2-hydroxy-2-oxoethyl)-oxo-(2-oxo-4-propylpiperazine-1-carbonyl)azanium Traditional Name: (1-cyclohexa-1,4-dien-1-yl-2-hydroxy-2-keto-ethyl)-keto-(2-keto-4-propyl-piperazine-1-carbonyl)ammonium Formula: C16H22N3O5+ MolecularWeight: 336.36298

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(C(=O)C1)C(=O)[N+](=O)C(C2=CCC=CC2)C(=O)O

Isomeric SMILES

CCCN1CCN(C(=O)C1)C(=O)[N+](=O)C(C2=CCC=CC2)C(=O)O

InChI

InChI=1S/C16H21N3O5/c1-2-8-17-9-10-18(13(20)11-17)16(23)19(24)14(15(21)22)12-6-4-3-5-7-12/h3-4,7,14H,2,5-6,8-11H2,1H3/p+1