[2-methyl-3-(methylamino)-5-oxidanyl-1H-2-benzazepin-2-ium-1-yl] hydrogen sulfate

Systemtic Name: [2-methyl-3-(methylamino)-5-oxidanyl-1H-2-benzazepin-2-ium-1-yl] hydrogen sulfate Openeye Name: [5-hydroxy-2-methyl-3-(methylamino)-1H-2-benzazepin-2-ium-1-yl] hydrogen sulfate CAS Name: sulfuric acid [5-hydroxy-2-methyl-3-(methylamino)-1H-2-benzazepin-2-ium-1-yl] ester IUPAC Name: [5-hydroxy-2-methyl-3-(methylamino)-1H-2-benzazepin-2-ium-1-yl] hydrogen sulfate Traditional Name: sulfuric acid [5-hydroxy-2-methyl-3-(methylamino)-1H-2-benzazepin-2-ium-1-yl] ester Formula: C12H15N2O5S+ MolecularWeight: 299.3229

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=[N+](C(C2=CC=CC=C2C(=C1)O)OS(=O)(=O)O)C

Isomeric SMILES

CNC1=[N+](C(C2=CC=CC=C2C(=C1)O)OS(=O)(=O)O)C

InChI

InChI=1S/C12H14N2O5S/c1-13-11-7-10(15)8-5-3-4-6-9(8)12(14(11)2)19-20(16,17)18/h3-7,12H,1-2H3,(H2,13,15,16,17,18)/p+1