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

Systemtic Name: 2-(4-ethenylphenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-yl-piperazin-1-ium Openeye Name: 1-methyl-4-(1H-pyrazol-5-yl)-1-(4-pyridyl)-2-(4-vinylphenyl)piperazin-1-ium CAS Name: 2-(4-ethenylphenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-ylpiperazin-1-ium IUPAC Name: 2-(4-ethenylphenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-ylpiperazin-1-ium Traditional Name: 1-methyl-4-(1H-pyrazol-5-yl)-1-(4-pyridyl)-2-(4-vinylphenyl)piperazin-1-ium Formula: C21H24N5+ MolecularWeight: 346.44876

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1C2=CC=C(C=C2)C=C)C3=CC=NN3)C4=CC=NC=C4

Isomeric SMILES

C[N+]1(CCN(CC1C2=CC=C(C=C2)C=C)C3=CC=NN3)C4=CC=NC=C4

InChI

InChI=1S/C21H24N5/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/h3-13,20H,1,14-16H2,2H3,(H,23,24)/q+1