methyl 5-bromanyl-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: methyl 5-bromanyl-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 5-bromo-1-(2-morpholin-4-ium-4-ylethyl)-6-oxo-pyridine-3-carboxylate CAS Name: 5-bromo-1-[2-(4-morpholin-4-iumyl)ethyl]-6-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-bromo-1-(2-morpholin-4-ium-4-ylethyl)-6-oxopyridine-3-carboxylate Traditional Name: 5-bromo-6-keto-1-(2-morpholin-4-ium-4-ylethyl)nicotinic acid methyl ester Formula: C13H18BrN2O4+ MolecularWeight: 346.19702

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C(=C1)Br)CC[NH+]2CCOCC2

Isomeric SMILES

COC(=O)C1=CN(C(=O)C(=C1)Br)CC[NH+]2CCOCC2

InChI

InChI=1S/C13H17BrN2O4/c1-19-13(18)10-8-11(14)12(17)16(9-10)3-2-15-4-6-20-7-5-15/h8-9H,2-7H2,1H3/p+1