2-[(1-ethyl-2-methylidene-pyrrolidin-1-ium-1-yl)-(2-methyl-3-sulfanyl-propanoyl)amino]ethanoic acid

Systemtic Name: 2-[(1-ethyl-2-methylidene-pyrrolidin-1-ium-1-yl)-(2-methyl-3-sulfanyl-propanoyl)amino]ethanoic acid Openeye Name: 2-[(1-ethyl-2-methylene-pyrrolidin-1-ium-1-yl)-(2-methyl-3-sulfanyl-propanoyl)amino]acetic acid CAS Name: 2-[(1-ethyl-2-methylene-1-pyrrolidin-1-iumyl)-(3-mercapto-2-methyl-1-oxopropyl)amino]acetic acid IUPAC Name: 2-[(1-ethyl-2-methylidenepyrrolidin-1-ium-1-yl)-(2-methyl-3-sulfanylpropanoyl)amino]acetic acid Traditional Name: 2-[(1-ethyl-2-methylene-pyrrolidin-1-ium-1-yl)-(3-mercapto-2-methyl-propanoyl)amino]acetic acid Formula: C13H23N2O3S+ MolecularWeight: 287.39832

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCC1=C)N(CC(=O)O)C(=O)C(C)CS

Isomeric SMILES

CC[N+]1(CCCC1=C)N(CC(=O)O)C(=O)C(C)CS

InChI

InChI=1S/C13H22N2O3S/c1-4-15(7-5-6-11(15)3)14(8-12(16)17)13(18)10(2)9-19/h10H,3-9H2,1-2H3,(H-,16,17,19)/p+1