4-butyl-1,2-diphenyl-4-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]pyrazolidine-3,5-dione

Systemtic Name: 4-butyl-1,2-diphenyl-4-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]pyrazolidine-3,5-dione Openeye Name: 4-[(4-benzylpiperazin-4-ium-1-yl)methyl]-4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione CAS Name: 4-butyl-1,2-diphenyl-4-[[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]pyrazolidine-3,5-dione IUPAC Name: 4-[(4-benzylpiperazin-4-ium-1-yl)methyl]-4-butyl-1,2-diphenylpyrazolidine-3,5-dione Traditional Name: 4-[(4-benzylpiperazin-4-ium-1-yl)methyl]-4-butyl-1,2-diphenyl-pyrazolidine-3,5-quinone Formula: C31H37N4O2+ MolecularWeight: 497.65108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)CN4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)CN4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C31H36N4O2/c1-2-3-19-31(25-33-22-20-32(21-23-33)24-26-13-7-4-8-14-26)29(36)34(27-15-9-5-10-16-27)35(30(31)37)28-17-11-6-12-18-28/h4-18H,2-3,19-25H2,1H3/p+1