3-ethyl-2-[(1E,3E)-4-(4-methylphenyl)buta-1,3-dienyl]-1,3-benzothiazol-3-ium

Systemtic Name: 3-ethyl-2-[(1E,3E)-4-(4-methylphenyl)buta-1,3-dienyl]-1,3-benzothiazol-3-ium Openeye Name: 3-ethyl-2-[(1E,3E)-4-(p-tolyl)buta-1,3-dienyl]-1,3-benzothiazol-3-ium CAS Name: 3-ethyl-2-[(1E,3E)-4-(4-methylphenyl)buta-1,3-dienyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-ethyl-2-[(1E,3E)-4-(4-methylphenyl)buta-1,3-dienyl]-1,3-benzothiazol-3-ium Traditional Name: 3-ethyl-2-[(1E,3E)-4-(p-tolyl)buta-1,3-dienyl]-1,3-benzothiazol-3-ium Formula: C20H20NS+ MolecularWeight: 306.4445

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)C=CC=CC3=CC=C(C=C3)C

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)/C=C/C=C/C3=CC=C(C=C3)C

InChI

InChI=1S/C20H20NS/c1-3-21-18-9-5-6-10-19(18)22-20(21)11-7-4-8-17-14-12-16(2)13-15-17/h4-15H,3H2,1-2H3/q+1/b8-4+,11-7+