N-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]-1H-indazole-3-carboxamide

Systemtic Name: N-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]-1H-indazole-3-carboxamide Openeye Name: N-[[2-[methyl-[2-(2-pyridyl)ethyl]amino]pyridin-1-ium-3-yl]methyl]-1H-indazole-3-carboxamide CAS Name: N-[[2-[methyl-[2-(2-pyridinyl)ethyl]amino]-3-pyridin-1-iumyl]methyl]-1H-indazole-3-carboxamide IUPAC Name: N-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]-1H-indazole-3-carboxamide Traditional Name: N-[[2-[methyl-[2-(2-pyridyl)ethyl]amino]pyridin-1-ium-3-yl]methyl]-1H-indazole-3-carboxamide Formula: C22H23N6O+ MolecularWeight: 387.45762

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)C2=C(C=CC=[NH+]2)CNC(=O)C3=NNC4=CC=CC=C43

Isomeric SMILES

CN(CCC1=CC=CC=N1)C2=C(C=CC=[NH+]2)CNC(=O)C3=NNC4=CC=CC=C43

InChI

InChI=1S/C22H22N6O/c1-28(14-11-17-8-4-5-12-23-17)21-16(7-6-13-24-21)15-25-22(29)20-18-9-2-3-10-19(18)26-27-20/h2-10,12-13H,11,14-15H2,1H3,(H,25,29)(H,26,27)/p+1