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

Systemtic Name: 2-(4-iodophenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-yl-piperazin-1-ium Openeye Name: 2-(4-iodophenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-(4-pyridyl)piperazin-1-ium CAS Name: 2-(4-iodophenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-ylpiperazin-1-ium IUPAC Name: 2-(4-iodophenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-ylpiperazin-1-ium Traditional Name: 2-(4-iodophenyl)-1-methyl-4-(1H-pyrazol-5-yl)-1-(4-pyridyl)piperazin-1-ium Formula: C19H21IN5+ MolecularWeight: 446.30801

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21IN5/c1-25(17-6-9-21-10-7-17)13-12-24(19-8-11-22-23-19)14-18(25)15-2-4-16(20)5-3-15/h2-11,18H,12-14H2,1H3,(H,22,23)/q+1