2-[(4-dimethylaminophenyl)diazenyl]-3,5,5-trimethyl-4,6-dihydro-1,3-benzothiazol-3-ium-7-one

Systemtic Name: 2-[(4-dimethylaminophenyl)diazenyl]-3,5,5-trimethyl-4,6-dihydro-1,3-benzothiazol-3-ium-7-one Openeye Name: 2-(4-dimethylaminophenyl)azo-3,5,5-trimethyl-4,6-dihydro-1,3-benzothiazol-3-ium-7-one CAS Name: 2-(4-dimethylaminophenyl)azo-3,5,5-trimethyl-4,6-dihydro-1,3-benzothiazol-3-ium-7-one IUPAC Name: 2-[(4-dimethylaminophenyl)diazenyl]-3,5,5-trimethyl-4,6-dihydro-1,3-benzothiazol-3-ium-7-one Traditional Name: 2-(4-dimethylaminophenyl)azo-3,5,5-trimethyl-4,6-dihydro-1,3-benzothiazol-3-ium-7-one Formula: C18H23N4OS+ MolecularWeight: 343.46642

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)SC(=[N+]2C)N=NC3=CC=C(C=C3)N(C)C)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)SC(=[N+]2C)N=NC3=CC=C(C=C3)N(C)C)C

InChI

InChI=1S/C18H23N4OS/c1-18(2)10-14-16(15(23)11-18)24-17(22(14)5)20-19-12-6-8-13(9-7-12)21(3)4/h6-9H,10-11H2,1-5H3/q+1