3-(5-chloranyl-3-methyl-3a,7a-dihydro-1,2-benzothiazol-2-ium-2-yl)propane-1-sulfonate

Systemtic Name: 3-(5-chloranyl-3-methyl-3a,7a-dihydro-1,2-benzothiazol-2-ium-2-yl)propane-1-sulfonate Openeye Name: 3-(5-chloro-3-methyl-3a,7a-dihydro-1,2-benzothiazol-2-ium-2-yl)propane-1-sulfonate CAS Name: 3-(5-chloro-3-methyl-3a,7a-dihydro-1,2-benzothiazol-2-ium-2-yl)-1-propanesulfonate IUPAC Name: 3-(5-chloro-3-methyl-3a,7a-dihydro-1,2-benzothiazol-2-ium-2-yl)propane-1-sulfonate Traditional Name: 3-(5-chloro-3-methyl-3a,7a-dihydro-1,2-benzothiazol-2-ium-2-yl)propane-1-sulfonate Formula: C11H14ClNO3S2 MolecularWeight: 307.81676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](SC2C1C=C(C=C2)Cl)CCCS(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](SC2C1C=C(C=C2)Cl)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C11H14ClNO3S2/c1-8-10-7-9(12)3-4-11(10)17-13(8)5-2-6-18(14,15)16/h3-4,7,10-11H,2,5-6H2,1H3