6-[1-[[4-(diphenylmethyl)piperazin-4-ium-1-yl]amino]ethylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[1-[[4-(diphenylmethyl)piperazin-4-ium-1-yl]amino]ethylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[1-[(4-benzhydrylpiperazin-4-ium-1-yl)amino]ethylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[1-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]amino]ethylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[1-[(4-benzhydrylpiperazin-4-ium-1-yl)amino]ethylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[1-[(4-benzhydrylpiperazin-4-ium-1-yl)amino]ethylidene]cyclohexa-2,4-dien-1-one Formula: C25H28N3O+ MolecularWeight: 386.50932

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=CC=CC1=O)NN2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=C1C=CC=CC1=O)NN2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O/c1-20(23-14-8-9-15-24(23)29)26-28-18-16-27(17-19-28)25(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,25-26H,16-19H2,1H3/p+1