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

Systemtic Name: 3-methyl-2-[2-(4-propan-2-ylphenyl)ethynyl]-1,3-benzothiazol-3-ium Openeye Name: 2-[2-(4-isopropylphenyl)ethynyl]-3-methyl-1,3-benzothiazol-3-ium CAS Name: 3-methyl-2-[2-(4-propan-2-ylphenyl)ethynyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-methyl-2-[2-(4-propan-2-ylphenyl)ethynyl]-1,3-benzothiazol-3-ium Traditional Name: 3-methyl-2-(2-p-cumenylethynyl)-1,3-benzothiazol-3-ium Formula: C19H18NS+ MolecularWeight: 292.41792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C#CC2=[N+](C3=CC=CC=C3S2)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C#CC2=[N+](C3=CC=CC=C3S2)C

InChI

InChI=1S/C19H18NS/c1-14(2)16-11-8-15(9-12-16)10-13-19-20(3)17-6-4-5-7-18(17)21-19/h4-9,11-12,14H,1-3H3/q+1