2-[(2R)-2-[5-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]thiophen-2-yl]pyrrolidin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[(2R)-2-[5-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]thiophen-2-yl]pyrrolidin-1-ium-1-yl]ethanoate Openeye Name: 2-[(2R)-2-[5-[(2-methylthiazol-4-yl)methylcarbamoyl]-2-thienyl]pyrrolidin-1-ium-1-yl]acetate CAS Name: 2-[(2R)-2-[5-[[(2-methyl-4-thiazolyl)methylamino]-oxomethyl]-2-thiophenyl]-1-pyrrolidin-1-iumyl]acetate IUPAC Name: 2-[(2R)-2-[5-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]thiophen-2-yl]pyrrolidin-1-ium-1-yl]acetate Traditional Name: 2-[(2R)-2-[5-[(2-methylthiazol-4-yl)methylcarbamoyl]-2-thienyl]pyrrolidin-1-ium-1-yl]acetate Formula: C16H19N3O3S2 MolecularWeight: 365.47036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CNC(=O)C2=CC=C(S2)C3CCC[NH+]3CC(=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)CNC(=O)C2=CC=C(S2)[C@H]3CCC[NH+]3CC(=O)[O-]

InChI

InChI=1S/C16H19N3O3S2/c1-10-18-11(9-23-10)7-17-16(22)14-5-4-13(24-14)12-3-2-6-19(12)8-15(20)21/h4-5,9,12H,2-3,6-8H2,1H3,(H,17,22)(H,20,21)/t12-/m1/s1