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

Systemtic Name: 6-[[[4-(diphenylmethyl)piperazin-4-ium-1-yl]amino]methylidene]-2-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[(4-benzhydrylpiperazin-4-ium-1-yl)amino]methylene]-2-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[4-(diphenylmethyl)-1-piperazin-4-iumyl]amino]methylidene]-2-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[(4-benzhydrylpiperazin-4-ium-1-yl)amino]methylidene]-2-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[(4-benzhydrylpiperazin-4-ium-1-yl)amino]methylene]-2-methoxy-cyclohexa-2,4-dien-1-one Formula: C25H28N3O2+ MolecularWeight: 402.50872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=CNN2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C1=O

Isomeric SMILES

COC1=CC=CC(=CNN2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C1=O

InChI

InChI=1S/C25H27N3O2/c1-30-23-14-8-13-22(25(23)29)19-26-28-17-15-27(16-18-28)24(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,19,24,26H,15-18H2,1H3/p+1