5-chloranyl-3-methyl-1,2-thiazole-4-carboxylate; 2-hydroxyethyl(trimethyl)azanium; hydrochloride

Systemtic Name: 5-chloranyl-3-methyl-1,2-thiazole-4-carboxylate; 2-hydroxyethyl(trimethyl)azanium; hydrochloride Openeye Name: 5-chloro-3-methyl-isothiazole-4-carboxylate; 2-hydroxyethyl(trimethyl)ammonium; hydrochloride CAS Name: 5-chloro-3-methyl-4-isothiazolecarboxylate; 2-hydroxyethyl(trimethyl)ammonium; hydrochloride IUPAC Name: 5-chloro-3-methyl-1,2-thiazole-4-carboxylate; 2-hydroxyethyl(trimethyl)azanium; hydrochloride Traditional Name: 5-chloro-3-methyl-isothiazole-4-carboxylate; 2-hydroxyethyl(trimethyl)ammonium; hydrochloride Formula: C10H18Cl2N2O3S MolecularWeight: 317.23252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)[O-])Cl.C[N+](C)(C)CCO.Cl

Isomeric SMILES

CC1=NSC(=C1C(=O)[O-])Cl.C[N+](C)(C)CCO.Cl

InChI

InChI=1S/C5H4ClNO2S.C5H14NO.ClH/c1-2-3(5(8)9)4(6)10-7-2;1-6(2,3)4-5-7;/h1H3,(H,8,9);7H,4-5H2,1-3H3;1H/q;+1;/p-1