methyl (2S,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(3-methylthiophen-2-yl)carbonylamino]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(3-methylthiophen-2-yl)carbonylamino]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-1-indan-2-yl-4-[(3-methylthiophene-2-carbonyl)amino]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-[[(3-methyl-2-thiophenyl)-oxomethyl]amino]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(3-methylthiophene-2-carbonyl)amino]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-1-indan-2-yl-4-[(3-methylthiophene-2-carbonyl)amino]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C21H25N2O3S+ MolecularWeight: 385.4998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)NC2CC([NH+](C2)C3CC4=CC=CC=C4C3)C(=O)OC

Isomeric SMILES

CC1=C(SC=C1)C(=O)N[C@H]2C[C@H]([NH+](C2)C3CC4=CC=CC=C4C3)C(=O)OC

InChI

InChI=1S/C21H24N2O3S/c1-13-7-8-27-19(13)20(24)22-16-11-18(21(25)26-2)23(12-16)17-9-14-5-3-4-6-15(14)10-17/h3-8,16-18H,9-12H2,1-2H3,(H,22,24)/p+1/t16-,18-/m0/s1