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

Systemtic Name: 1-(2-nitrophenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone Openeye Name: 1-(2-nitrophenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone CAS Name: 1-(2-nitrophenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone IUPAC Name: 1-(2-nitrophenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone Traditional Name: 1-(2-nitrophenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone Formula: C15H15N2O3S+ MolecularWeight: 303.3562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N2O3S/c18-14(11-5-1-2-6-12(11)17(19)20)9-16-10-21-15-8-4-3-7-13(15)16/h1-2,5-6,10H,3-4,7-9H2/q+1