2-(2-azanyl-1,3-benzothiazol-3-ium-3-yl)-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-(2-azanyl-1,3-benzothiazol-3-ium-3-yl)-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-(2-amino-1,3-benzothiazol-3-ium-3-yl)-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-(2-amino-1,3-benzothiazol-3-ium-3-yl)-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-(2-amino-1,3-benzothiazol-3-ium-3-yl)-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-(2-amino-1,3-benzothiazol-3-ium-3-yl)-N-(2,6-dimethylphenyl)acetamide Formula: C17H18N3OS+ MolecularWeight: 312.40932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[N+]2=C(SC3=CC=CC=C32)N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[N+]2=C(SC3=CC=CC=C32)N

InChI

InChI=1S/C17H17N3OS/c1-11-6-5-7-12(2)16(11)19-15(21)10-20-13-8-3-4-9-14(13)22-17(20)18/h3-9,18H,10H2,1-2H3,(H,19,21)/p+1