4-[[4-(diphenylmethyl)piperazin-4-ium-1-yl]methylidene]-2-(4-methoxyphenyl)isoquinoline-1,3-dione

Systemtic Name: 4-[[4-(diphenylmethyl)piperazin-4-ium-1-yl]methylidene]-2-(4-methoxyphenyl)isoquinoline-1,3-dione Openeye Name: 4-[(4-benzhydrylpiperazin-4-ium-1-yl)methylene]-2-(4-methoxyphenyl)isoquinoline-1,3-dione CAS Name: 4-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]methylidene]-2-(4-methoxyphenyl)isoquinoline-1,3-dione IUPAC Name: 4-[(4-benzhydrylpiperazin-4-ium-1-yl)methylidene]-2-(4-methoxyphenyl)isoquinoline-1,3-dione Traditional Name: 4-[(4-benzhydrylpiperazin-4-ium-1-yl)methylene]-2-(4-methoxyphenyl)isoquinoline-1,3-quinone Formula: C34H32N3O3+ MolecularWeight: 530.63618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CN4CC[NH+](CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)C2=O

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CN4CC[NH+](CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)C2=O

InChI

InChI=1S/C34H31N3O3/c1-40-28-18-16-27(17-19-28)37-33(38)30-15-9-8-14-29(30)31(34(37)39)24-35-20-22-36(23-21-35)32(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-19,24,32H,20-23H2,1H3/p+1