2-[(1E,3E)-4-ethoxybuta-1,3-dienyl]-3-ethyl-5-methoxy-1,3-benzothiazol-3-ium

Systemtic Name: 2-[(1E,3E)-4-ethoxybuta-1,3-dienyl]-3-ethyl-5-methoxy-1,3-benzothiazol-3-ium Openeye Name: 2-[(1E,3E)-4-ethoxybuta-1,3-dienyl]-3-ethyl-5-methoxy-1,3-benzothiazol-3-ium CAS Name: 2-[(1E,3E)-4-ethoxybuta-1,3-dienyl]-3-ethyl-5-methoxy-1,3-benzothiazol-3-ium IUPAC Name: 2-[(1E,3E)-4-ethoxybuta-1,3-dienyl]-3-ethyl-5-methoxy-1,3-benzothiazol-3-ium Traditional Name: 2-[(1E,3E)-4-ethoxybuta-1,3-dienyl]-3-ethyl-5-methoxy-1,3-benzothiazol-3-ium Formula: C16H20NO2S+ MolecularWeight: 290.4005

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=C(C=C2)OC)C=CC=COCC

Isomeric SMILES

CC[N+]1=C(SC2=C1C=C(C=C2)OC)/C=C/C=C/OCC

InChI

InChI=1S/C16H20NO2S/c1-4-17-14-12-13(18-3)9-10-15(14)20-16(17)8-6-7-11-19-5-2/h6-12H,4-5H2,1-3H3/q+1/b8-6+,11-7+