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

Systemtic Name: 2-methyl-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]pyridine-3-carboxamide Openeye Name: 2-methyl-N-[[2-[methyl-[2-(2-pyridyl)ethyl]amino]pyridin-1-ium-3-yl]methyl]pyridine-3-carboxamide CAS Name: 2-methyl-N-[[2-[methyl-[2-(2-pyridinyl)ethyl]amino]-3-pyridin-1-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-methyl-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]pyridine-3-carboxamide Traditional Name: 2-methyl-N-[[2-[methyl-[2-(2-pyridyl)ethyl]amino]pyridin-1-ium-3-yl]methyl]nicotinamide Formula: C21H24N5O+ MolecularWeight: 362.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)C(=O)NCC2=C([NH+]=CC=C2)N(C)CCC3=CC=CC=N3

Isomeric SMILES

CC1=C(C=CC=N1)C(=O)NCC2=C([NH+]=CC=C2)N(C)CCC3=CC=CC=N3

InChI

InChI=1S/C21H23N5O/c1-16-19(9-6-12-22-16)21(27)25-15-17-7-5-13-24-20(17)26(2)14-10-18-8-3-4-11-23-18/h3-9,11-13H,10,14-15H2,1-2H3,(H,25,27)/p+1