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

Systemtic Name: (2R)-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]oxane-2-carboxamide Openeye Name: (2R)-N-[[2-[methyl-[2-(2-pyridyl)ethyl]amino]pyridin-1-ium-3-yl]methyl]tetrahydropyran-2-carboxamide CAS Name: (2R)-N-[[2-[methyl-[2-(2-pyridinyl)ethyl]amino]-3-pyridin-1-iumyl]methyl]-2-oxanecarboxamide IUPAC Name: (2R)-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]oxane-2-carboxamide Traditional Name: (2R)-N-[[2-[methyl-[2-(2-pyridyl)ethyl]amino]pyridin-1-ium-3-yl]methyl]tetrahydropyran-2-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)C3CCCCO3

Isomeric SMILES

CN(CCC1=CC=CC=N1)C2=C(C=CC=[NH+]2)CNC(=O)[C@H]3CCCCO3

InChI

InChI=1S/C20H26N4O2/c1-24(13-10-17-8-2-4-11-21-17)19-16(7-6-12-22-19)15-23-20(25)18-9-3-5-14-26-18/h2,4,6-8,11-12,18H,3,5,9-10,13-15H2,1H3,(H,23,25)/p+1/t18-/m1/s1