2-[(2,6-dimethylpyran-4-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium

Systemtic Name: 2-[(2,6-dimethylpyran-4-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium Openeye Name: 2-[(2,6-dimethylpyran-4-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium CAS Name: 2-[(2,6-dimethyl-4-pyranylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium IUPAC Name: 2-[(2,6-dimethylpyran-4-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium Traditional Name: 2-[(2,6-dimethylpyran-4-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium Formula: C17H18NOS+ MolecularWeight: 284.39592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)C=C3C=C(OC(=C3)C)C

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)C=C3C=C(OC(=C3)C)C

InChI

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