ethyl 2-[[2-(dimethylamino)pyridin-1-ium-3-yl]methylamino]-6-methyl-pyrimidine-4-carboxylate

Systemtic Name: ethyl 2-[[2-(dimethylamino)pyridin-1-ium-3-yl]methylamino]-6-methyl-pyrimidine-4-carboxylate Openeye Name: ethyl 2-[[2-(dimethylamino)pyridin-1-ium-3-yl]methylamino]-6-methyl-pyrimidine-4-carboxylate CAS Name: 2-[[2-(dimethylamino)-3-pyridin-1-iumyl]methylamino]-6-methyl-4-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(dimethylamino)pyridin-1-ium-3-yl]methylamino]-6-methylpyrimidine-4-carboxylate Traditional Name: 2-[[2-(dimethylamino)pyridin-1-ium-3-yl]methylamino]-6-methyl-pyrimidine-4-carboxylic acid ethyl ester Formula: C16H22N5O2+ MolecularWeight: 316.37818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NC(=N1)NCC2=C([NH+]=CC=C2)N(C)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=NC(=N1)NCC2=C([NH+]=CC=C2)N(C)C)C

InChI

InChI=1S/C16H21N5O2/c1-5-23-15(22)13-9-11(2)19-16(20-13)18-10-12-7-6-8-17-14(12)21(3)4/h6-9H,5,10H2,1-4H3,(H,18,19,20)/p+1