3-(2,5-dimethylphenyl)-8-methyl-2H-1,3-benzothiazin-3-ium

Systemtic Name: 3-(2,5-dimethylphenyl)-8-methyl-2H-1,3-benzothiazin-3-ium Openeye Name: 3-(2,5-dimethylphenyl)-8-methyl-2H-1,3-benzothiazin-3-ium CAS Name: 3-(2,5-dimethylphenyl)-8-methyl-2H-1,3-benzothiazin-3-ium IUPAC Name: 3-(2,5-dimethylphenyl)-8-methyl-2H-1,3-benzothiazin-3-ium Traditional Name: 3-(2,5-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=CC(=C(C=C1)C)[N+]2=CC3=C(C(=CC=C3)C)SC2

Isomeric SMILES

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

InChI

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