sodium 3-benzo[b][1]benzazepin-11-ylpropyl sulfate

Systemtic Name: sodium 3-benzo[b][1]benzazepin-11-ylpropyl sulfate Openeye Name: sodium 3-benzo[b][1]benzazepin-11-ylpropyl sulfate CAS Name: sodium 3-(11-benzo[b][1]benzazepinyl)propyl sulfate IUPAC Name: sodium 3-benzo[b][1]benzazepin-11-ylpropyl sulfate Traditional Name: sodium 3-benzo[b][1]benzazepin-11-ylpropyl sulfate Formula: C17H16NNaO4S MolecularWeight: 353.36801

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2CCCOS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2CCCOS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C17H17NO4S.Na/c19-23(20,21)22-13-5-12-18-16-8-3-1-6-14(16)10-11-15-7-2-4-9-17(15)18;/h1-4,6-11H,5,12-13H2,(H,19,20,21);/q;+1/p-1