4-(3-methyl-5-phenyl-pyrazol-1-yl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine

Systemtic Name: 4-(3-methyl-5-phenyl-pyrazol-1-yl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine Openeye Name: 4-(3-methyl-5-phenyl-pyrazol-1-yl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine CAS Name: 4-(3-methyl-5-phenyl-1-pyrazolyl)-6-(4-methyl-1-piperazin-4-iumyl)pyrimidine IUPAC Name: 4-(3-methyl-5-phenylpyrazol-1-yl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine Traditional Name: 4-(3-methyl-5-phenyl-pyrazol-1-yl)-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine Formula: C19H23N6+ MolecularWeight: 335.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C2=CC=CC=C2)C3=CC(=NC=N3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=NN(C(=C1)C2=CC=CC=C2)C3=CC(=NC=N3)N4CC[NH+](CC4)C

InChI

InChI=1S/C19H22N6/c1-15-12-17(16-6-4-3-5-7-16)25(22-15)19-13-18(20-14-21-19)24-10-8-23(2)9-11-24/h3-7,12-14H,8-11H2,1-2H3/p+1