1-methyl-2-(3-methylphenyl)-4-(1H-pyrazol-5-yl)-1-pyridin-4-yl-piperazin-1-ium

Systemtic Name: 1-methyl-2-(3-methylphenyl)-4-(1H-pyrazol-5-yl)-1-pyridin-4-yl-piperazin-1-ium Openeye Name: 1-methyl-2-(m-tolyl)-4-(1H-pyrazol-5-yl)-1-(4-pyridyl)piperazin-1-ium CAS Name: 1-methyl-2-(3-methylphenyl)-4-(1H-pyrazol-5-yl)-1-pyridin-4-ylpiperazin-1-ium IUPAC Name: 1-methyl-2-(3-methylphenyl)-4-(1H-pyrazol-5-yl)-1-pyridin-4-ylpiperazin-1-ium Traditional Name: 1-methyl-2-(m-tolyl)-4-(1H-pyrazol-5-yl)-1-(4-pyridyl)piperazin-1-ium Formula: C20H24N5+ MolecularWeight: 334.43806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2CN(CC[N+]2(C)C3=CC=NC=C3)C4=CC=NN4

Isomeric SMILES

CC1=CC=CC(=C1)C2CN(CC[N+]2(C)C3=CC=NC=C3)C4=CC=NN4

InChI

InChI=1S/C20H24N5/c1-16-4-3-5-17(14-16)19-15-24(20-8-11-22-23-20)12-13-25(19,2)18-6-9-21-10-7-18/h3-11,14,19H,12-13,15H2,1-2H3,(H,22,23)/q+1