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

Systemtic Name: 2-(4-chloranyl-3-methyl-phenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-yl-piperazin-1-ium Openeye Name: 2-(4-chloro-3-methyl-phenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-(4-pyridyl)piperazin-1-ium CAS Name: 2-(4-chloro-3-methylphenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-ylpiperazin-1-ium IUPAC Name: 2-(4-chloro-3-methylphenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-ylpiperazin-1-ium Traditional Name: 2-(4-chloro-3-methyl-phenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-(4-pyridyl)piperazin-1-ium Formula: C20H23ClN5+ MolecularWeight: 368.88312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN5/c1-15-13-16(3-4-18(15)21)19-14-25(20-7-10-23-24-20)11-12-26(19,2)17-5-8-22-9-6-17/h3-10,13,19H,11-12,14H2,1-2H3,(H,23,24)/q+1