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

Systemtic Name: 2-(4-ethylphenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-yl-piperazin-1-ium Openeye Name: 2-(4-ethylphenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-(4-pyridyl)piperazin-1-ium CAS Name: 2-(4-ethylphenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-ylpiperazin-1-ium IUPAC Name: 2-(4-ethylphenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-ylpiperazin-1-ium Traditional Name: 2-(4-ethylphenyl)-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:

CCC1=CC=C(C=C1)C2CN(CC[N+]2(C)C3=CC=NC=C3)C4=CC=NN4

Isomeric SMILES

CCC1=CC=C(C=C1)C2CN(CC[N+]2(C)C3=CC=NC=C3)C4=CC=NN4

InChI

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