2,6-ditert-butyl-4-[[[4-(diphenylmethyl)piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-ditert-butyl-4-[[[4-(diphenylmethyl)piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[(4-benzhydrylpiperazin-4-ium-1-yl)amino]methylene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[[[4-(diphenylmethyl)-1-piperazin-4-iumyl]amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[(4-benzhydrylpiperazin-4-ium-1-yl)amino]methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one Traditional Name: 4-[[(4-benzhydrylpiperazin-4-ium-1-yl)amino]methylene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Formula: C32H42N3O+ MolecularWeight: 484.69538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CNN2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CNN2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C32H41N3O/c1-31(2,3)27-21-24(22-28(30(27)36)32(4,5)6)23-33-35-19-17-34(18-20-35)29(25-13-9-7-10-14-25)26-15-11-8-12-16-26/h7-16,21-23,29,33H,17-20H2,1-6H3/p+1