1-(4-nitrophenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone bromide

Systemtic Name: 1-(4-nitrophenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone bromide Openeye Name: 1-(4-nitrophenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone bromide CAS Name: 1-(4-nitrophenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone bromide IUPAC Name: 1-(4-nitrophenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone bromide Traditional Name: 1-(4-nitrophenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone bromide Formula: C15H15BrN2O3S MolecularWeight: 383.2602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)[N+](=CS2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1CCC2=C(C1)[N+](=CS2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C15H15N2O3S.BrH/c18-14(11-5-7-12(8-6-11)17(19)20)9-16-10-21-15-4-2-1-3-13(15)16;/h5-8,10H,1-4,9H2;1H/q+1;/p-1