4-[1-(3-methylphenyl)pyrazol-4-yl]-2-piperazin-4-ium-1-yl-pyrimidine

Systemtic Name: 4-[1-(3-methylphenyl)pyrazol-4-yl]-2-piperazin-4-ium-1-yl-pyrimidine Openeye Name: 4-[1-(m-tolyl)pyrazol-4-yl]-2-piperazin-4-ium-1-yl-pyrimidine CAS Name: 4-[1-(3-methylphenyl)-4-pyrazolyl]-2-(1-piperazin-4-iumyl)pyrimidine IUPAC Name: 4-[1-(3-methylphenyl)pyrazol-4-yl]-2-piperazin-4-ium-1-ylpyrimidine Traditional Name: 4-[1-(m-tolyl)pyrazol-4-yl]-2-piperazin-4-ium-1-yl-pyrimidine Formula: C18H21N6+ MolecularWeight: 321.39954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=C(C=N2)C3=NC(=NC=C3)N4CC[NH2+]CC4

Isomeric SMILES

CC1=CC(=CC=C1)N2C=C(C=N2)C3=NC(=NC=C3)N4CC[NH2+]CC4

InChI

InChI=1S/C18H20N6/c1-14-3-2-4-16(11-14)24-13-15(12-21-24)17-5-6-20-18(22-17)23-9-7-19-8-10-23/h2-6,11-13,19H,7-10H2,1H3/p+1