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

Systemtic Name: 2-(2-chlorophenyl)-4-[[4-(diphenylmethyl)piperazin-4-ium-1-yl]methylidene]isoquinoline-1,3-dione Openeye Name: 4-[(4-benzhydrylpiperazin-4-ium-1-yl)methylene]-2-(2-chlorophenyl)isoquinoline-1,3-dione CAS Name: 2-(2-chlorophenyl)-4-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]methylidene]isoquinoline-1,3-dione IUPAC Name: 4-[(4-benzhydrylpiperazin-4-ium-1-yl)methylidene]-2-(2-chlorophenyl)isoquinoline-1,3-dione Traditional Name: 4-[(4-benzhydrylpiperazin-4-ium-1-yl)methylene]-2-(2-chlorophenyl)isoquinoline-1,3-quinone Formula: C33H29ClN3O2+ MolecularWeight: 535.05526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C=C4C5=CC=CC=C5C(=O)N(C4=O)C6=CC=CC=C6Cl

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C=C4C5=CC=CC=C5C(=O)N(C4=O)C6=CC=CC=C6Cl

InChI

InChI=1S/C33H28ClN3O2/c34-29-17-9-10-18-30(29)37-32(38)27-16-8-7-15-26(27)28(33(37)39)23-35-19-21-36(22-20-35)31(24-11-3-1-4-12-24)25-13-5-2-6-14-25/h1-18,23,31H,19-22H2/p+1