N-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]oxane-4-carboxamide

Systemtic Name: N-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]oxane-4-carboxamide Openeye Name: N-[[2-[methyl-[2-(2-pyridyl)ethyl]amino]pyridin-1-ium-3-yl]methyl]tetrahydropyran-4-carboxamide CAS Name: N-[[2-[methyl-[2-(2-pyridinyl)ethyl]amino]-3-pyridin-1-iumyl]methyl]-4-oxanecarboxamide IUPAC Name: N-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]oxane-4-carboxamide Traditional Name: N-[[2-[methyl-[2-(2-pyridyl)ethyl]amino]pyridin-1-ium-3-yl]methyl]tetrahydropyran-4-carboxamide Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)C2=C(C=CC=[NH+]2)CNC(=O)C3CCOCC3

Isomeric SMILES

CN(CCC1=CC=CC=N1)C2=C(C=CC=[NH+]2)CNC(=O)C3CCOCC3

InChI

InChI=1S/C20H26N4O2/c1-24(12-7-18-6-2-3-10-21-18)19-17(5-4-11-22-19)15-23-20(25)16-8-13-26-14-9-16/h2-6,10-11,16H,7-9,12-15H2,1H3,(H,23,25)/p+1