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

Systemtic Name: 4-bromanyl-6-[[[4-(diphenylmethyl)piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[(4-benzhydrylpiperazin-4-ium-1-yl)amino]methylene]-4-bromo-cyclohexa-2,4-dien-1-one CAS Name: 4-bromo-6-[[[4-(diphenylmethyl)-1-piperazin-4-iumyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[(4-benzhydrylpiperazin-4-ium-1-yl)amino]methylidene]-4-bromocyclohexa-2,4-dien-1-one Traditional Name: 6-[[(4-benzhydrylpiperazin-4-ium-1-yl)amino]methylene]-4-bromo-cyclohexa-2,4-dien-1-one Formula: C24H25BrN3O+ MolecularWeight: 451.3788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)NC=C4C=C(C=CC4=O)Br

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)NC=C4C=C(C=CC4=O)Br

InChI

InChI=1S/C24H24BrN3O/c25-22-11-12-23(29)21(17-22)18-26-28-15-13-27(14-16-28)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17-18,24,26H,13-16H2/p+1