hydrogen sulfate; 1-methyl-5-phenyl-7-(trifluoromethyloxy)-3,4-dihydro-1,4-benzodiazepin-1-ium-2-one

Systemtic Name: hydrogen sulfate; 1-methyl-5-phenyl-7-(trifluoromethyloxy)-3,4-dihydro-1,4-benzodiazepin-1-ium-2-one Openeye Name: hydrogen sulfate; 1-methyl-5-phenyl-7-(trifluoromethoxy)-3,4-dihydro-1,4-benzodiazepin-1-ium-2-one CAS Name: hydrogen sulfate; 1-methyl-5-phenyl-7-(trifluoromethoxy)-3,4-dihydro-1,4-benzodiazepin-1-ium-2-one IUPAC Name: hydrogen sulfate; 1-methyl-5-phenyl-7-(trifluoromethoxy)-3,4-dihydro-1,4-benzodiazepin-1-ium-2-one Traditional Name: 1-methyl-5-phenyl-7-(trifluoromethoxy)-3,4-dihydro-1,4-benzodiazepin-1-ium-2-one bisulfate Formula: C17H15F3N2O6S MolecularWeight: 432.37101

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC(=CC2=C(NCC1=O)C3=CC=CC=C3)OC(F)(F)F.OS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C2C=CC(=CC2=C(NCC1=O)C3=CC=CC=C3)OC(F)(F)F.OS(=O)(=O)[O-]

InChI

InChI=1S/C17H13F3N2O2.H2O4S/c1-22-14-8-7-12(24-17(18,19)20)9-13(14)16(21-10-15(22)23)11-5-3-2-4-6-11;1-5(2,3)4/h2-9H,10H2,1H3;(H2,1,2,3,4)