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

Systemtic Name: 1-(4-methylphenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)phthalazin-3-ium Openeye Name: 1-(p-tolyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)phthalazin-3-ium CAS Name: 1-(4-methylphenyl)-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]phthalazin-3-ium IUPAC Name: 1-(4-methylphenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)phthalazin-3-ium Traditional Name: 1-(p-tolyl)-4-(4-pyridin-1-ium-2-ylpiperazino)phthalazin-3-ium Formula: C24H25N5+2 MolecularWeight: 383.4888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N5/c1-18-9-11-19(12-10-18)23-20-6-2-3-7-21(20)24(27-26-23)29-16-14-28(15-17-29)22-8-4-5-13-25-22/h2-13H,14-17H2,1H3/p+2