3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-2-(trimethylazaniumyl)propanoate dihydrate

Systemtic Name: 3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-2-(trimethylazaniumyl)propanoate dihydrate Openeye Name: 3-(2-thioxo-1,3-dihydroimidazol-4-yl)-2-(trimethylammonio)propanoate dihydrate CAS Name: 3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-2-(trimethylammonio)propanoate dihydrate IUPAC Name: 3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-2-(trimethylazaniumyl)propanoate dihydrate Traditional Name: 3-(2-thioxo-4-imidazolin-4-yl)-2-(trimethylammonio)propionate dihydrate Formula: C9H19N3O4S MolecularWeight: 265.32986

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(CC1=CNC(=S)N1)C(=O)[O-].O.O

Isomeric SMILES

C[N+](C)(C)C(CC1=CNC(=S)N1)C(=O)[O-].O.O

InChI

InChI=1S/C9H15N3O2S.2H2O/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6;;/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15);2*1H2