3-(2,2-diethoxy-2-methoxy-ethyl)-2-methyl-benzo[g][1,3]benzothiazol-3-ium

Systemtic Name: 3-(2,2-diethoxy-2-methoxy-ethyl)-2-methyl-benzo[g][1,3]benzothiazol-3-ium Openeye Name: 3-(2,2-diethoxy-2-methoxy-ethyl)-2-methyl-benzo[g][1,3]benzothiazol-3-ium CAS Name: 3-(2,2-diethoxy-2-methoxyethyl)-2-methylbenzo[g][1,3]benzothiazol-3-ium IUPAC Name: 3-(2,2-diethoxy-2-methoxyethyl)-2-methylbenzo[g][1,3]benzothiazol-3-ium Traditional Name: 3-(2,2-diethoxy-2-methoxy-ethyl)-2-methyl-benzo[g][1,3]benzothiazol-3-ium Formula: C19H24NO3S+ MolecularWeight: 346.46376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C[N+]1=C(SC2=C1C=CC3=CC=CC=C32)C)(OC)OCC

Isomeric SMILES

CCOC(C[N+]1=C(SC2=C1C=CC3=CC=CC=C32)C)(OC)OCC

InChI

InChI=1S/C19H24NO3S/c1-5-22-19(21-4,23-6-2)13-20-14(3)24-18-16-10-8-7-9-15(16)11-12-17(18)20/h7-12H,5-6,13H2,1-4H3/q+1