2,5-dimethyl-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]furan-3-carboxamide

Systemtic Name: 2,5-dimethyl-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]furan-3-carboxamide Openeye Name: 2,5-dimethyl-N-[[2-[methyl-[2-(2-pyridyl)ethyl]amino]pyridin-1-ium-3-yl]methyl]furan-3-carboxamide CAS Name: 2,5-dimethyl-N-[[2-[methyl-[2-(2-pyridinyl)ethyl]amino]-3-pyridin-1-iumyl]methyl]-3-furancarboxamide IUPAC Name: 2,5-dimethyl-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]furan-3-carboxamide Traditional Name: 2,5-dimethyl-N-[[2-[methyl-[2-(2-pyridyl)ethyl]amino]pyridin-1-ium-3-yl]methyl]-3-furamide Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)NCC2=C([NH+]=CC=C2)N(C)CCC3=CC=CC=N3

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)NCC2=C([NH+]=CC=C2)N(C)CCC3=CC=CC=N3

InChI

InChI=1S/C21H24N4O2/c1-15-13-19(16(2)27-15)21(26)24-14-17-7-6-11-23-20(17)25(3)12-9-18-8-4-5-10-22-18/h4-8,10-11,13H,9,12,14H2,1-3H3,(H,24,26)/p+1