methyl 4-[[[(2S)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propanoyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[(2S)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propanoyl]amino]methyl]benzoate Openeye Name: methyl 4-[[[(2S)-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]propanoyl]amino]methyl]benzoate CAS Name: 4-[[[(2S)-1-oxo-2-[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]propyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[(2S)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propanoyl]amino]methyl]benzoate Traditional Name: 4-[[[(2S)-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]propanoyl]amino]methyl]benzoic acid methyl ester Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)[NH+]2CCCC2C3=CC=CS3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=C(C=C1)C(=O)OC)[NH+]2CCC[C@@H]2C3=CC=CS3

InChI

InChI=1S/C20H24N2O3S/c1-14(22-11-3-5-17(22)18-6-4-12-26-18)19(23)21-13-15-7-9-16(10-8-15)20(24)25-2/h4,6-10,12,14,17H,3,5,11,13H2,1-2H3,(H,21,23)/p+1/t14-,17+/m0/s1