2-[(Z)-2-methoxyprop-1-enyl]-3-methyl-1,3-benzothiazol-3-ium; methyl sulfate

Systemtic Name: 2-[(Z)-2-methoxyprop-1-enyl]-3-methyl-1,3-benzothiazol-3-ium; methyl sulfate Openeye Name: 2-[(Z)-2-methoxyprop-1-enyl]-3-methyl-1,3-benzothiazol-3-ium; methyl sulfate CAS Name: 2-[(Z)-2-methoxyprop-1-enyl]-3-methyl-1,3-benzothiazol-3-ium; methyl sulfate IUPAC Name: 2-[(Z)-2-methoxyprop-1-enyl]-3-methyl-1,3-benzothiazol-3-ium; methyl sulfate Traditional Name: 2-[(Z)-2-methoxyprop-1-enyl]-3-methyl-1,3-benzothiazol-3-ium; methyl sulfate Formula: C13H17NO5S2 MolecularWeight: 331.40778

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=[N+](C2=CC=CC=C2S1)C)OC.COS(=O)(=O)[O-]

Isomeric SMILES

C/C(=C/C1=[N+](C2=CC=CC=C2S1)C)/OC.COS(=O)(=O)[O-]

InChI

InChI=1S/C12H14NOS.CH4O4S/c1-9(14-3)8-12-13(2)10-6-4-5-7-11(10)15-12;1-5-6(2,3)4/h4-8H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1/b9-8-;