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

Systemtic Name: 1-ethyl-2-[(E)-2-methoxyprop-1-enyl]benzo[e][1,3]benzothiazol-1-ium; methyl sulfate Openeye Name: 1-ethyl-2-[(E)-2-methoxyprop-1-enyl]benzo[e][1,3]benzothiazol-1-ium; methyl sulfate CAS Name: 1-ethyl-2-[(E)-2-methoxyprop-1-enyl]benzo[e][1,3]benzothiazol-1-ium; methyl sulfate IUPAC Name: 1-ethyl-2-[(E)-2-methoxyprop-1-enyl]benzo[e][1,3]benzothiazol-1-ium; methyl sulfate Traditional Name: 1-ethyl-2-[(E)-2-methoxyprop-1-enyl]benzo[e][1,3]benzothiazol-1-ium; methyl sulfate Formula: C18H21NO5S2 MolecularWeight: 395.49304

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C3=CC=CC=C3C=C2)C=C(C)OC.COS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(SC2=C1C3=CC=CC=C3C=C2)/C=C(\C)/OC.COS(=O)(=O)[O-]

InChI

InChI=1S/C17H18NOS.CH4O4S/c1-4-18-16(11-12(2)19-3)20-15-10-9-13-7-5-6-8-14(13)17(15)18;1-5-6(2,3)4/h5-11H,4H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1/b12-11+;