4-[1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-yl-piperazin-1-ium-2-yl]benzenecarbonitrile

Systemtic Name: 4-[1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-yl-piperazin-1-ium-2-yl]benzenecarbonitrile Openeye Name: 4-[1-methyl-4-(1H-pyrazol-5-yl)-1-(4-pyridyl)piperazin-1-ium-2-yl]benzonitrile CAS Name: 4-[1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-yl-2-piperazin-1-iumyl]benzonitrile IUPAC Name: 4-[1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-ylpiperazin-1-ium-2-yl]benzonitrile Traditional Name: 4-[1-methyl-4-(1H-pyrazol-5-yl)-1-(4-pyridyl)piperazin-1-ium-2-yl]benzonitrile Formula: C20H21N6+ MolecularWeight: 345.42094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N6/c1-26(18-6-9-22-10-7-18)13-12-25(20-8-11-23-24-20)15-19(26)17-4-2-16(14-21)3-5-17/h2-11,19H,12-13,15H2,1H3,(H,23,24)/q+1