methyl (2S,4R)-4-[(3-oxidanylnaphthalen-2-yl)carbonylamino]-1-(thiophen-2-ylmethyl)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4R)-4-[(3-oxidanylnaphthalen-2-yl)carbonylamino]-1-(thiophen-2-ylmethyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-4-[(3-hydroxynaphthalene-2-carbonyl)amino]-1-(2-thienylmethyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-4-[[(3-hydroxy-2-naphthalenyl)-oxomethyl]amino]-1-(thiophen-2-ylmethyl)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-[(3-hydroxynaphthalene-2-carbonyl)amino]-1-(thiophen-2-ylmethyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-4-[(3-hydroxy-2-naphthoyl)amino]-1-(2-thenyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C22H23N2O4S+ MolecularWeight: 411.49402

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH+]1CC2=CC=CS2)NC(=O)C3=CC4=CC=CC=C4C=C3O

Isomeric SMILES

COC(=O)[C@@H]1C[C@H](C[NH+]1CC2=CC=CS2)NC(=O)C3=CC4=CC=CC=C4C=C3O

InChI

InChI=1S/C22H22N2O4S/c1-28-22(27)19-11-16(12-24(19)13-17-7-4-8-29-17)23-21(26)18-9-14-5-2-3-6-15(14)10-20(18)25/h2-10,16,19,25H,11-13H2,1H3,(H,23,26)/p+1/t16-,19+/m1/s1