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

Systemtic Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-1-ium-2-yl-piperazine Formula: C21H26N5+ MolecularWeight: 348.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)CN3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)CN3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

InChI=1S/C21H25N5/c1-16-6-7-18(13-17(16)2)21-19(14-23-24-21)15-25-9-11-26(12-10-25)20-5-3-4-8-22-20/h3-8,13-14H,9-12,15H2,1-2H3,(H,23,24)/p+1