methyl 3-[[5-[(2R)-pyrrolidin-1-ium-2-yl]thiophen-2-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[5-[(2R)-pyrrolidin-1-ium-2-yl]thiophen-2-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carbonyl]amino]benzoate CAS Name: 3-[[oxo-[5-[(2R)-2-pyrrolidin-1-iumyl]-2-thiophenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carbonyl]amino]benzoate Traditional Name: 3-[[5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carbonyl]amino]benzoic acid methyl ester Formula: C17H19N2O3S+ MolecularWeight: 331.40936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3S/c1-22-17(21)11-4-2-5-12(10-11)19-16(20)15-8-7-14(23-15)13-6-3-9-18-13/h2,4-5,7-8,10,13,18H,3,6,9H2,1H3,(H,19,20)/p+1/t13-/m1/s1