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

Systemtic Name: 6-[[[4-(diphenylmethyl)piperazin-4-ium-1-yl]amino]methylidene]-2-prop-2-enyl-cyclohexa-2,4-dien-1-one Openeye Name: 2-allyl-6-[[(4-benzhydrylpiperazin-4-ium-1-yl)amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[[4-(diphenylmethyl)-1-piperazin-4-iumyl]amino]methylidene]-2-prop-2-enyl-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[(4-benzhydrylpiperazin-4-ium-1-yl)amino]methylidene]-2-prop-2-enylcyclohexa-2,4-dien-1-one Traditional Name: 2-allyl-6-[[(4-benzhydrylpiperazin-4-ium-1-yl)amino]methylene]cyclohexa-2,4-dien-1-one Formula: C27H30N3O+ MolecularWeight: 412.5466

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC(=CNN2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C1=O

Isomeric SMILES

C=CCC1=CC=CC(=CNN2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C1=O

InChI

InChI=1S/C27H29N3O/c1-2-10-24-15-9-16-25(27(24)31)21-28-30-19-17-29(18-20-30)26(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h2-9,11-16,21,26,28H,1,10,17-20H2/p+1