3-(2-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-3-ium-3-yl)propane-1-sulfonate

Systemtic Name: 3-(2-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-3-ium-3-yl)propane-1-sulfonate Openeye Name: 3-(2-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-3-ium-3-yl)propane-1-sulfonate CAS Name: 3-(2-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-3-ium-3-yl)-1-propanesulfonate IUPAC Name: 3-(2-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-3-ium-3-yl)propane-1-sulfonate Traditional Name: 3-(2-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-3-ium-3-yl)propane-1-sulfonate Formula: C15H19NO3S2 MolecularWeight: 325.44626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(S1)C3=C(CCCC3)C=C2)CCCS(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C2=C(S1)C3=C(CCCC3)C=C2)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C15H19NO3S2/c1-11-16(9-4-10-21(17,18)19)14-8-7-12-5-2-3-6-13(12)15(14)20-11/h7-8H,2-6,9-10H2,1H3