sodium 4-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)butane-1-sulfonate chloride

Systemtic Name: sodium 4-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)butane-1-sulfonate chloride Openeye Name: sodium 4-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)butane-1-sulfonate chloride CAS Name: sodium 4-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)-1-butanesulfonate chloride IUPAC Name: sodium 4-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)butane-1-sulfonate chloride Traditional Name: sodium 4-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)butane-1-sulfonate chloride Formula: C14H19ClNNaO4S2 MolecularWeight: 387.87773

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1OC)SC(=[N+]2CCCCS(=O)(=O)[O-])C.[Na+].[Cl-]

Isomeric SMILES

CC1=CC2=C(C=C1OC)SC(=[N+]2CCCCS(=O)(=O)[O-])C.[Na+].[Cl-]

InChI

InChI=1S/C14H19NO4S2.ClH.Na/c1-10-8-12-14(9-13(10)19-3)20-11(2)15(12)6-4-5-7-21(16,17)18;;/h8-9H,4-7H2,1-3H3;1H;/q;;+1/p-1