4-(4-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-pyrimidine

Systemtic Name: 4-(4-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-pyrimidine Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)-4-phenyl-6-(p-tolyl)pyrimidine CAS Name: 4-(4-methylphenyl)-2-(4-methyl-1-piperazin-4-iumyl)-6-phenylpyrimidine IUPAC Name: 4-(4-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-phenylpyrimidine Traditional Name: 2-(4-methylpiperazin-4-ium-1-yl)-4-phenyl-6-(p-tolyl)pyrimidine Formula: C22H25N4+ MolecularWeight: 345.4607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NC(=C2)C3=CC=CC=C3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NC(=C2)C3=CC=CC=C3)N4CC[NH+](CC4)C

InChI

InChI=1S/C22H24N4/c1-17-8-10-19(11-9-17)21-16-20(18-6-4-3-5-7-18)23-22(24-21)26-14-12-25(2)13-15-26/h3-11,16H,12-15H2,1-2H3/p+1