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

Systemtic Name: 2-(2-azanyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)-1-(4-nitrophenyl)ethanone Openeye Name: 2-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)-1-(4-nitrophenyl)ethanone CAS Name: 2-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)-1-(4-nitrophenyl)ethanone IUPAC Name: 2-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)-1-(4-nitrophenyl)ethanone Traditional Name: 2-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)-1-(4-nitrophenyl)ethanone Formula: C15H16N3O3S+ MolecularWeight: 318.37084

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)[N+](=C(S2)N)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)[N+](=C(S2)N)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O3S/c16-15-17(12-3-1-2-4-14(12)22-15)9-13(19)10-5-7-11(8-6-10)18(20)21/h5-8,16H,1-4,9H2/p+1