methyl 2-[[5-[(2R)-pyrrolidin-1-ium-2-yl]thiophen-2-yl]carbonylamino]pyridine-4-carboxylate

Systemtic Name: methyl 2-[[5-[(2R)-pyrrolidin-1-ium-2-yl]thiophen-2-yl]carbonylamino]pyridine-4-carboxylate Openeye Name: methyl 2-[[5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carbonyl]amino]pyridine-4-carboxylate CAS Name: 2-[[oxo-[5-[(2R)-2-pyrrolidin-1-iumyl]-2-thiophenyl]methyl]amino]-4-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carbonyl]amino]pyridine-4-carboxylate Traditional Name: 2-[[5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carbonyl]amino]isonicotinic acid methyl ester Formula: C16H18N3O3S+ MolecularWeight: 332.39742

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NC=C1)NC(=O)C2=CC=C(S2)C3CCC[NH2+]3

Isomeric SMILES

COC(=O)C1=CC(=NC=C1)NC(=O)C2=CC=C(S2)[C@H]3CCC[NH2+]3

InChI

InChI=1S/C16H17N3O3S/c1-22-16(21)10-6-8-18-14(9-10)19-15(20)13-5-4-12(23-13)11-3-2-7-17-11/h4-6,8-9,11,17H,2-3,7H2,1H3,(H,18,19,20)/p+1/t11-/m1/s1