methyl 1-[(3R,5S)-1-cyclopentyl-5-(thiophen-2-ylmethylcarbamoyl)pyrrolidin-1-ium-3-yl]-1,2,3-triazole-4-carboxylate

Systemtic Name: methyl 1-[(3R,5S)-1-cyclopentyl-5-(thiophen-2-ylmethylcarbamoyl)pyrrolidin-1-ium-3-yl]-1,2,3-triazole-4-carboxylate Openeye Name: methyl 1-[(3R,5S)-1-cyclopentyl-5-(2-thienylmethylcarbamoyl)pyrrolidin-1-ium-3-yl]triazole-4-carboxylate CAS Name: 1-[(3R,5S)-1-cyclopentyl-5-[oxo-(thiophen-2-ylmethylamino)methyl]-3-pyrrolidin-1-iumyl]-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3R,5S)-1-cyclopentyl-5-(thiophen-2-ylmethylcarbamoyl)pyrrolidin-1-ium-3-yl]triazole-4-carboxylate Traditional Name: 1-[(3R,5S)-1-cyclopentyl-5-(2-thenylcarbamoyl)pyrrolidin-1-ium-3-yl]triazole-4-carboxylic acid methyl ester Formula: C19H26N5O3S+ MolecularWeight: 404.50644

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(N=N1)C2CC([NH+](C2)C3CCCC3)C(=O)NCC4=CC=CS4

Isomeric SMILES

COC(=O)C1=CN(N=N1)[C@@H]2C[C@H]([NH+](C2)C3CCCC3)C(=O)NCC4=CC=CS4

InChI

InChI=1S/C19H25N5O3S/c1-27-19(26)16-12-24(22-21-16)14-9-17(23(11-14)13-5-2-3-6-13)18(25)20-10-15-7-4-8-28-15/h4,7-8,12-14,17H,2-3,5-6,9-11H2,1H3,(H,20,25)/p+1/t14-,17+/m1/s1