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

Systemtic Name: 2-(3,4-dimethylphenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-yl-piperazin-1-ium Openeye Name: 2-(3,4-dimethylphenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-(4-pyridyl)piperazin-1-ium CAS Name: 2-(3,4-dimethylphenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-ylpiperazin-1-ium IUPAC Name: 2-(3,4-dimethylphenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-ylpiperazin-1-ium Traditional Name: 2-(3,4-dimethylphenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-(4-pyridyl)piperazin-1-ium Formula: C21H26N5+ MolecularWeight: 348.46464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N5/c1-16-4-5-18(14-17(16)2)20-15-25(21-8-11-23-24-21)12-13-26(20,3)19-6-9-22-10-7-19/h4-11,14,20H,12-13,15H2,1-3H3,(H,23,24)/q+1