2-(2-azanyl-1,3-benzothiazol-3-ium-3-yl)-N-(2-ethyl-6-methyl-phenyl)ethanamide bromide

Systemtic Name: 2-(2-azanyl-1,3-benzothiazol-3-ium-3-yl)-N-(2-ethyl-6-methyl-phenyl)ethanamide bromide Openeye Name: 2-(2-amino-1,3-benzothiazol-3-ium-3-yl)-N-(2-ethyl-6-methyl-phenyl)acetamide bromide CAS Name: 2-(2-amino-1,3-benzothiazol-3-ium-3-yl)-N-(2-ethyl-6-methylphenyl)acetamide bromide IUPAC Name: 2-(2-amino-1,3-benzothiazol-3-ium-3-yl)-N-(2-ethyl-6-methylphenyl)acetamide bromide Traditional Name: 2-(2-amino-1,3-benzothiazol-3-ium-3-yl)-N-(2-ethyl-6-methyl-phenyl)acetamide bromide Formula: C18H20BrN3OS MolecularWeight: 406.3399

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C[N+]2=C(SC3=CC=CC=C32)N)C.[Br-]

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[N+]2=C(SC3=CC=CC=C32)N)C.[Br-]

InChI

InChI=1S/C18H19N3OS.BrH/c1-3-13-8-6-7-12(2)17(13)20-16(22)11-21-14-9-4-5-10-15(14)23-18(21)19;/h4-10,19H,3,11H2,1-2H3,(H,20,22);1H