1-(5-chloranyl-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonic acid; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: 1-(5-chloranyl-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonic acid; 2-(trimethylazaniumyl)ethanoate Openeye Name: 1-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonic acid; 2-(trimethylammonio)acetate CAS Name: 1-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)-1-propanesulfonic acid; 2-(trimethylammonio)acetate IUPAC Name: 1-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonic acid; 2-(trimethylazaniumyl)acetate Traditional Name: 1-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonic acid; 2-(trimethylammonio)acetate Formula: C16H24ClN2O5S2+ MolecularWeight: 423.95516

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Descriptors Computed from Structure

Canonical SMILES:

CCC([N+]1=C(SC2=C1C=C(C=C2)Cl)C)S(=O)(=O)O.C[N+](C)(C)CC(=O)[O-]

Isomeric SMILES

CCC([N+]1=C(SC2=C1C=C(C=C2)Cl)C)S(=O)(=O)O.C[N+](C)(C)CC(=O)[O-]

InChI

InChI=1S/C11H12ClNO3S2.C5H11NO2/c1-3-11(18(14,15)16)13-7(2)17-10-5-4-8(12)6-9(10)13;1-6(2,3)4-5(7)8/h4-6,11H,3H2,1-2H3;4H2,1-3H3/p+1