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

Systemtic Name: 3-ethyl-2-[(E)-2-methoxyprop-1-enyl]-1,3-benzothiazol-3-ium; methyl sulfate Openeye Name: 3-ethyl-2-[(E)-2-methoxyprop-1-enyl]-1,3-benzothiazol-3-ium; methyl sulfate CAS Name: 3-ethyl-2-[(E)-2-methoxyprop-1-enyl]-1,3-benzothiazol-3-ium; methyl sulfate IUPAC Name: 3-ethyl-2-[(E)-2-methoxyprop-1-enyl]-1,3-benzothiazol-3-ium; methyl sulfate Traditional Name: 3-ethyl-2-[(E)-2-methoxyprop-1-enyl]-1,3-benzothiazol-3-ium; methyl sulfate Formula: C14H19NO5S2 MolecularWeight: 345.43436

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)C=C(C)OC.COS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)/C=C(\C)/OC.COS(=O)(=O)[O-]

InChI

InChI=1S/C13H16NOS.CH4O4S/c1-4-14-11-7-5-6-8-12(11)16-13(14)9-10(2)15-3;1-5-6(2,3)4/h5-9H,4H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1/b10-9+;