2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrimidine Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-(3,5-dimethylpyrazol-1-yl)-6-methyl-pyrimidine CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-4-methyl-6-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidine Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-(3,5-dimethylpyrazol-1-yl)-6-methyl-pyrimidine Formula: C21H27N6+ MolecularWeight: 363.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=CC(=N2)C)C)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=CC(=N2)C)C)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H26N6/c1-16-14-20(23-21(22-16)27-18(3)13-17(2)24-27)26-11-9-25(10-12-26)15-19-7-5-4-6-8-19/h4-8,13-14H,9-12,15H2,1-3H3/p+1