3-methyl-2-[2-(4-phenoxyphenyl)ethynyl]-1,3-benzothiazol-3-ium

Systemtic Name: 3-methyl-2-[2-(4-phenoxyphenyl)ethynyl]-1,3-benzothiazol-3-ium Openeye Name: 3-methyl-2-[2-(4-phenoxyphenyl)ethynyl]-1,3-benzothiazol-3-ium CAS Name: 3-methyl-2-[2-(4-phenoxyphenyl)ethynyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-methyl-2-[2-(4-phenoxyphenyl)ethynyl]-1,3-benzothiazol-3-ium Traditional Name: 3-methyl-2-[2-(4-phenoxyphenyl)ethynyl]-1,3-benzothiazol-3-ium Formula: C22H16NOS+ MolecularWeight: 342.43354

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)C#CC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)C#CC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H16NOS/c1-23-20-9-5-6-10-21(20)25-22(23)16-13-17-11-14-19(15-12-17)24-18-7-3-2-4-8-18/h2-12,14-15H,1H3/q+1