3-pyrazol-1-ylpropyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-3-yl]methyl]azanium

Systemtic Name: 3-pyrazol-1-ylpropyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-3-yl]methyl]azanium Openeye Name: 3-pyrazol-1-ylpropyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-pyridyl]methyl]ammonium CAS Name: 3-(1-pyrazolyl)propyl-[[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridinyl]methyl]ammonium IUPAC Name: 3-pyrazol-1-ylpropyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-3-yl]methyl]azanium Traditional Name: 3-pyrazol-1-ylpropyl-[[2-(4-pyridin-1-ium-2-ylpiperazino)-3-pyridyl]methyl]ammonium Formula: C21H29N7+2 MolecularWeight: 379.50186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=C(C=CC=N3)C[NH2+]CCCN4C=CC=N4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=C(C=CC=N3)C[NH2+]CCCN4C=CC=N4

InChI

InChI=1S/C21H27N7/c1-2-9-23-20(7-1)26-14-16-27(17-15-26)21-19(6-3-10-24-21)18-22-8-4-12-28-13-5-11-25-28/h1-3,5-7,9-11,13,22H,4,8,12,14-18H2/p+2