1-oxidanyl-3-phenyl-2-prop-2-ynyl-4-sulfanyl-pyrrolidin-1-ium-1-carboxylic acid

Systemtic Name: 1-oxidanyl-3-phenyl-2-prop-2-ynyl-4-sulfanyl-pyrrolidin-1-ium-1-carboxylic acid Openeye Name: 1-hydroxy-3-phenyl-2-prop-2-ynyl-4-sulfanyl-pyrrolidin-1-ium-1-carboxylic acid CAS Name: 1-hydroxy-4-mercapto-3-phenyl-2-prop-2-ynyl-1-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-hydroxy-3-phenyl-2-prop-2-ynyl-4-sulfanylpyrrolidin-1-ium-1-carboxylic acid Traditional Name: 1-hydroxy-4-mercapto-3-phenyl-2-propargyl-pyrrolidin-1-ium-1-carboxylic acid Formula: C14H16NO3S+ MolecularWeight: 278.34674

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC1C(C(C[N+]1(C(=O)O)O)S)C2=CC=CC=C2

Isomeric SMILES

C#CCC1C(C(C[N+]1(C(=O)O)O)S)C2=CC=CC=C2

InChI

InChI=1S/C14H15NO3S/c1-2-6-11-13(10-7-4-3-5-8-10)12(19)9-15(11,18)14(16)17/h1,3-5,7-8,11-13,18H,6,9H2,(H-,16,17,19)/p+1