1-methyl-3-[(3-pyridin-1-ium-2-yl-1H-pyrazol-5-yl)methyl]indole chloride

Systemtic Name: 1-methyl-3-[(3-pyridin-1-ium-2-yl-1H-pyrazol-5-yl)methyl]indole chloride Openeye Name: 1-methyl-3-[(3-pyridin-1-ium-2-yl-1H-pyrazol-5-yl)methyl]indole chloride CAS Name: 1-methyl-3-[[3-(2-pyridin-1-iumyl)-1H-pyrazol-5-yl]methyl]indole chloride IUPAC Name: 1-methyl-3-[(3-pyridin-1-ium-2-yl-1H-pyrazol-5-yl)methyl]indole chloride Traditional Name: 1-methyl-3-[(3-pyridin-1-ium-2-yl-1H-pyrazol-5-yl)methyl]indole chloride Formula: C18H17ClN4 MolecularWeight: 324.80738

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)CC3=CC(=NN3)C4=CC=CC=[NH+]4.[Cl-]

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)CC3=CC(=NN3)C4=CC=CC=[NH+]4.[Cl-]

InChI

InChI=1S/C18H16N4.ClH/c1-22-12-13(15-6-2-3-8-18(15)22)10-14-11-17(21-20-14)16-7-4-5-9-19-16;/h2-9,11-12H,10H2,1H3,(H,20,21);1H