N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-3-pyridin-4-yl-propanamide

Systemtic Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-3-pyridin-4-yl-propanamide Openeye Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-3-(4-pyridyl)propanamide CAS Name: N-[[2-(dimethylamino)-3-pyridin-1-iumyl]methyl]-3-pyridin-4-ylpropanamide IUPAC Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-3-pyridin-4-ylpropanamide Traditional Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-3-(4-pyridyl)propionamide Formula: C16H21N4O+ MolecularWeight: 285.36414

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC=[NH+]1)CNC(=O)CCC2=CC=NC=C2

Isomeric SMILES

CN(C)C1=C(C=CC=[NH+]1)CNC(=O)CCC2=CC=NC=C2

InChI

InChI=1S/C16H20N4O/c1-20(2)16-14(4-3-9-18-16)12-19-15(21)6-5-13-7-10-17-11-8-13/h3-4,7-11H,5-6,12H2,1-2H3,(H,19,21)/p+1