[[1-butyl-3,5-bis(oxidanylidene)piperazin-1-ium-1-yl]-(phenylmethoxycarbonylamino)methyl] 4,4-dimethylpentanoate

Systemtic Name: [[1-butyl-3,5-bis(oxidanylidene)piperazin-1-ium-1-yl]-(phenylmethoxycarbonylamino)methyl] 4,4-dimethylpentanoate Openeye Name: [benzyloxycarbonylamino-(1-butyl-3,5-dioxo-piperazin-1-ium-1-yl)methyl] 4,4-dimethylpentanoate CAS Name: 4,4-dimethylpentanoic acid [(1-butyl-3,5-dioxo-1-piperazin-1-iumyl)-(phenylmethoxycarbonylamino)methyl] ester IUPAC Name: [(1-butyl-3,5-dioxopiperazin-1-ium-1-yl)-(phenylmethoxycarbonylamino)methyl] 4,4-dimethylpentanoate Traditional Name: 4,4-dimethylvaleric acid [benzyloxycarbonylamino-(1-butyl-3,5-diketo-piperazin-1-ium-1-yl)methyl] ester Formula: C24H36N3O6+ MolecularWeight: 462.55914

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CC(=O)NC(=O)C1)C(NC(=O)OCC2=CC=CC=C2)OC(=O)CCC(C)(C)C

Isomeric SMILES

CCCC[N+]1(CC(=O)NC(=O)C1)C(NC(=O)OCC2=CC=CC=C2)OC(=O)CCC(C)(C)C

InChI

InChI=1S/C24H35N3O6/c1-5-6-14-27(15-19(28)25-20(29)16-27)22(33-21(30)12-13-24(2,3)4)26-23(31)32-17-18-10-8-7-9-11-18/h7-11,22H,5-6,12-17H2,1-4H3,(H-,25,26,28,29,31)/p+1