4-methyl-2-(3-methylphenyl)-6-piperazin-4-ium-1-yl-pyrimidine

Systemtic Name: 4-methyl-2-(3-methylphenyl)-6-piperazin-4-ium-1-yl-pyrimidine Openeye Name: 4-methyl-2-(m-tolyl)-6-piperazin-4-ium-1-yl-pyrimidine CAS Name: 4-methyl-2-(3-methylphenyl)-6-(1-piperazin-4-iumyl)pyrimidine IUPAC Name: 4-methyl-2-(3-methylphenyl)-6-piperazin-4-ium-1-ylpyrimidine Traditional Name: 4-methyl-2-(m-tolyl)-6-piperazin-4-ium-1-yl-pyrimidine Formula: C16H21N4+ MolecularWeight: 269.36474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=CC(=N2)N3CC[NH2+]CC3)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=CC(=N2)N3CC[NH2+]CC3)C

InChI

InChI=1S/C16H20N4/c1-12-4-3-5-14(10-12)16-18-13(2)11-15(19-16)20-8-6-17-7-9-20/h3-5,10-11,17H,6-9H2,1-2H3/p+1