methyl (2S,4S)-1-(quinolin-4-ylmethyl)-4-(thiophen-2-ylcarbonylamino)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-1-(quinolin-4-ylmethyl)-4-(thiophen-2-ylcarbonylamino)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-1-(4-quinolylmethyl)-4-(thiophene-2-carbonylamino)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-[[oxo(thiophen-2-yl)methyl]amino]-1-(4-quinolinylmethyl)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-1-(quinolin-4-ylmethyl)-4-(thiophene-2-carbonylamino)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-1-(4-quinolylmethyl)-4-(2-thenoylamino)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C21H22N3O3S+ MolecularWeight: 396.48268

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH+]1CC2=CC=NC3=CC=CC=C23)NC(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)[C@@H]1C[C@@H](C[NH+]1CC2=CC=NC3=CC=CC=C23)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H21N3O3S/c1-27-21(26)18-11-15(23-20(25)19-7-4-10-28-19)13-24(18)12-14-8-9-22-17-6-3-2-5-16(14)17/h2-10,15,18H,11-13H2,1H3,(H,23,25)/p+1/t15-,18-/m0/s1