1-(3,4-dimethylphenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)phthalazin-3-ium

Systemtic Name: 1-(3,4-dimethylphenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)phthalazin-3-ium Openeye Name: 1-(3,4-dimethylphenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)phthalazin-3-ium CAS Name: 1-(3,4-dimethylphenyl)-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]phthalazin-3-ium IUPAC Name: 1-(3,4-dimethylphenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)phthalazin-3-ium Traditional Name: 1-(3,4-dimethylphenyl)-4-(4-pyridin-1-ium-2-ylpiperazino)phthalazin-3-ium Formula: C25H27N5+2 MolecularWeight: 397.51538

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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)C5=CC=CC=[NH+]5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=N[NH+]=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=[NH+]5)C

InChI

InChI=1S/C25H25N5/c1-18-10-11-20(17-19(18)2)24-21-7-3-4-8-22(21)25(28-27-24)30-15-13-29(14-16-30)23-9-5-6-12-26-23/h3-12,17H,13-16H2,1-2H3/p+2