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

Systemtic Name: methyl 5-bromanyl-6-oxidanylidene-1-(2-pyrrolidin-1-ium-1-ylethyl)pyridine-3-carboxylate Openeye Name: methyl 5-bromo-6-oxo-1-(2-pyrrolidin-1-ium-1-ylethyl)pyridine-3-carboxylate CAS Name: 5-bromo-6-oxo-1-[2-(1-pyrrolidin-1-iumyl)ethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-bromo-6-oxo-1-(2-pyrrolidin-1-ium-1-ylethyl)pyridine-3-carboxylate Traditional Name: 5-bromo-6-keto-1-(2-pyrrolidin-1-ium-1-ylethyl)nicotinic acid methyl ester Formula: C13H18BrN2O3+ MolecularWeight: 330.19762

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C(=C1)Br)CC[NH+]2CCCC2

Isomeric SMILES

COC(=O)C1=CN(C(=O)C(=C1)Br)CC[NH+]2CCCC2

InChI

InChI=1S/C13H17BrN2O3/c1-19-13(18)10-8-11(14)12(17)16(9-10)7-6-15-4-2-3-5-15/h8-9H,2-7H2,1H3/p+1