3-[(2R)-2-(4,5-dimethylthiophen-2-yl)pyrrolidin-1-ium-1-yl]propanoate

Systemtic Name: 3-[(2R)-2-(4,5-dimethylthiophen-2-yl)pyrrolidin-1-ium-1-yl]propanoate Openeye Name: 3-[(2R)-2-(4,5-dimethyl-2-thienyl)pyrrolidin-1-ium-1-yl]propanoate CAS Name: 3-[(2R)-2-(4,5-dimethyl-2-thiophenyl)-1-pyrrolidin-1-iumyl]propanoate IUPAC Name: 3-[(2R)-2-(4,5-dimethylthiophen-2-yl)pyrrolidin-1-ium-1-yl]propanoate Traditional Name: 3-[(2R)-2-(4,5-dimethyl-2-thienyl)pyrrolidin-1-ium-1-yl]propionate Formula: C13H19NO2S MolecularWeight: 253.36046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)C2CCC[NH+]2CCC(=O)[O-])C

Isomeric SMILES

CC1=C(SC(=C1)[C@H]2CCC[NH+]2CCC(=O)[O-])C

InChI

InChI=1S/C13H19NO2S/c1-9-8-12(17-10(9)2)11-4-3-6-14(11)7-5-13(15)16/h8,11H,3-7H2,1-2H3,(H,15,16)/t11-/m1/s1