3-(2,5,6-trimethyl-1,3-benzothiazol-3-ium-3-yl)propyl hydrogen sulfate

Systemtic Name: 3-(2,5,6-trimethyl-1,3-benzothiazol-3-ium-3-yl)propyl hydrogen sulfate Openeye Name: 3-(2,5,6-trimethyl-1,3-benzothiazol-3-ium-3-yl)propyl hydrogen sulfate CAS Name: sulfuric acid 3-(2,5,6-trimethyl-1,3-benzothiazol-3-ium-3-yl)propyl ester IUPAC Name: 3-(2,5,6-trimethyl-1,3-benzothiazol-3-ium-3-yl)propyl hydrogen sulfate Traditional Name: sulfuric acid 3-(2,5,6-trimethyl-1,3-benzothiazol-3-ium-3-yl)propyl ester Formula: C13H18NO4S2+ MolecularWeight: 316.41632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=[N+]2CCCOS(=O)(=O)O)C

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=[N+]2CCCOS(=O)(=O)O)C

InChI

InChI=1S/C13H17NO4S2/c1-9-7-12-13(8-10(9)2)19-11(3)14(12)5-4-6-18-20(15,16)17/h7-8H,4-6H2,1-3H3/p+1