5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-13H-quinazolino[2,3-a]phthalazin-7-ium-8-one

Systemtic Name: 5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-13H-quinazolino[2,3-a]phthalazin-7-ium-8-one Openeye Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-13H-quinazolino[2,3-a]phthalazin-7-ium-8-one CAS Name: 5-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-13H-quinazolino[2,3-a]phthalazin-7-ium-8-one IUPAC Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-13H-quinazolino[2,3-a]phthalazin-7-ium-8-one Traditional Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-13H-quinazolino[2,3-a]phthalazin-7-ium-8-one Formula: C32H29N5O+2 MolecularWeight: 499.60556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=N[N+]5=C(C6=CC=CC=C64)NC7=CC=CC=C7C5=O

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=N[N+]5=C(C6=CC=CC=C64)NC7=CC=CC=C7C5=O

InChI

InChI=1S/C32H27N5O/c38-32-27-17-9-10-18-28(27)33-30-25-15-7-8-16-26(25)31(34-37(30)32)36-21-19-35(20-22-36)29(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-18,29H,19-22H2/p+2