sodium 4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)butyl sulfate

Systemtic Name: sodium 4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)butyl sulfate Openeye Name: sodium 4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)butyl sulfate CAS Name: sodium 4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)butyl sulfate IUPAC Name: sodium 4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)butyl sulfate Traditional Name: sodium 4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)butyl sulfate Formula: C18H20NNaO4S MolecularWeight: 369.41047

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C3=CC=CC=C31)CCCCOS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1CC2=CC=CC=C2N(C3=CC=CC=C31)CCCCOS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H21NO4S.Na/c20-24(21,22)23-14-6-5-13-19-17-9-3-1-7-15(17)11-12-16-8-2-4-10-18(16)19;/h1-4,7-10H,5-6,11-14H2,(H,20,21,22);/q;+1/p-1