methyl 6-[[2-(diethylamino)pyridin-1-ium-3-yl]methylamino]pyridine-3-carboxylate

Systemtic Name: methyl 6-[[2-(diethylamino)pyridin-1-ium-3-yl]methylamino]pyridine-3-carboxylate Openeye Name: methyl 6-[[2-(diethylamino)pyridin-1-ium-3-yl]methylamino]pyridine-3-carboxylate CAS Name: 6-[[2-(diethylamino)-3-pyridin-1-iumyl]methylamino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[[2-(diethylamino)pyridin-1-ium-3-yl]methylamino]pyridine-3-carboxylate Traditional Name: 6-[[2-(diethylamino)pyridin-1-ium-3-yl]methylamino]nicotinic acid methyl ester Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=CC=[NH+]1)CNC2=NC=C(C=C2)C(=O)OC

Isomeric SMILES

CCN(CC)C1=C(C=CC=[NH+]1)CNC2=NC=C(C=C2)C(=O)OC

InChI

InChI=1S/C17H22N4O2/c1-4-21(5-2)16-13(7-6-10-18-16)11-19-15-9-8-14(12-20-15)17(22)23-3/h6-10,12H,4-5,11H2,1-3H3,(H,19,20)/p+1