3,3-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-7,8-diol; methanesulfonate

Systemtic Name: 3,3-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-7,8-diol; methanesulfonate Openeye Name: 3,3-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-7,8-diol; methanesulfonate CAS Name: 3,3-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-7,8-diol; methanesulfonate IUPAC Name: 3,3-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-7,8-diol; methanesulfonate Traditional Name: 3,3-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-7,8-diol mesylate Formula: C19H25NO5S MolecularWeight: 379.4705

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)O)O)C.CS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1(CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)O)O)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C18H21NO2.CH4O3S/c1-19(2)9-8-14-10-17(20)18(21)11-15(14)16(12-19)13-6-4-3-5-7-13;1-5(2,3)4/h3-7,10-11,16H,8-9,12H2,1-2H3,(H-,20,21);1H3,(H,2,3,4)