(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(dimethylamino)pyridine-4-carboxylate

Systemtic Name: (7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(dimethylamino)pyridine-4-carboxylate Openeye Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(dimethylamino)pyridine-4-carboxylate CAS Name: 2-(dimethylamino)-4-pyridinecarboxylic acid (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(dimethylamino)pyridine-4-carboxylate Traditional Name: 2-(dimethylamino)isonicotinic acid (4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C18H19N4O3+ MolecularWeight: 339.36846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)C3=CC(=NC=C3)N(C)C

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)C3=CC(=NC=C3)N(C)C

InChI

InChI=1S/C18H18N4O3/c1-12-4-5-15-20-14(9-17(23)22(15)10-12)11-25-18(24)13-6-7-19-16(8-13)21(2)3/h4-10H,11H2,1-3H3/p+1