5-chloranyl-2-methyl-1,3-benzothiazol-3-ium; propane-1-sulfonate

Systemtic Name: 5-chloranyl-2-methyl-1,3-benzothiazol-3-ium; propane-1-sulfonate Openeye Name: 5-chloro-2-methyl-1,3-benzothiazol-3-ium; propane-1-sulfonate CAS Name: 5-chloro-2-methyl-1,3-benzothiazol-3-ium; 1-propanesulfonate IUPAC Name: 5-chloro-2-methyl-1,3-benzothiazol-3-ium; propane-1-sulfonate Traditional Name: 5-chloro-2-methyl-1,3-benzothiazol-3-ium; propane-1-sulfonate Formula: C11H14ClNO3S2 MolecularWeight: 307.81676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)[O-].CC1=[NH+]C2=C(S1)C=CC(=C2)Cl

Isomeric SMILES

CCCS(=O)(=O)[O-].CC1=[NH+]C2=C(S1)C=CC(=C2)Cl

InChI

InChI=1S/C8H6ClNS.C3H8O3S/c1-5-10-7-4-6(9)2-3-8(7)11-5;1-2-3-7(4,5)6/h2-4H,1H3;2-3H2,1H3,(H,4,5,6)