1-(3,4-dimethylphenyl)-4-[4-(diphenylmethyl)piperazin-1-yl]phthalazin-3-ium

Systemtic Name: 1-(3,4-dimethylphenyl)-4-[4-(diphenylmethyl)piperazin-1-yl]phthalazin-3-ium Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-4-(3,4-dimethylphenyl)phthalazin-2-ium CAS Name: 1-(3,4-dimethylphenyl)-4-[4-(diphenylmethyl)-1-piperazinyl]phthalazin-3-ium IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-4-(3,4-dimethylphenyl)phthalazin-2-ium Traditional Name: 1-(4-benzhydrylpiperazino)-4-(3,4-dimethylphenyl)phthalazin-2-ium Formula: C33H33N4+ MolecularWeight: 485.64192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=N[NH+]=C(C3=CC=CC=C32)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=N[NH+]=C(C3=CC=CC=C32)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)C

InChI

InChI=1S/C33H32N4/c1-24-17-18-28(23-25(24)2)31-29-15-9-10-16-30(29)33(35-34-31)37-21-19-36(20-22-37)32(26-11-5-3-6-12-26)27-13-7-4-8-14-27/h3-18,23,32H,19-22H2,1-2H3/p+1