3-(2,3-dimethylphenyl)-8-methyl-2H-1,3-benzothiazin-3-ium

Systemtic Name: 3-(2,3-dimethylphenyl)-8-methyl-2H-1,3-benzothiazin-3-ium Openeye Name: 3-(2,3-dimethylphenyl)-8-methyl-2H-1,3-benzothiazin-3-ium CAS Name: 3-(2,3-dimethylphenyl)-8-methyl-2H-1,3-benzothiazin-3-ium IUPAC Name: 3-(2,3-dimethylphenyl)-8-methyl-2H-1,3-benzothiazin-3-ium Traditional Name: 3-(2,3-dimethylphenyl)-8-methyl-2H-1,3-benzothiazin-3-ium Formula: C17H18NS+ MolecularWeight: 268.39652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+]2=CC3=C(C(=CC=C3)C)SC2)C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+]2=CC3=C(C(=CC=C3)C)SC2)C

InChI

InChI=1S/C17H18NS/c1-12-6-5-9-16(14(12)3)18-10-15-8-4-7-13(2)17(15)19-11-18/h4-10H,11H2,1-3H3/q+1