sodium [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methyl-propyl] sulfate

Systemtic Name: sodium [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methyl-propyl] sulfate Openeye Name: sodium [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methyl-propyl] sulfate CAS Name: sodium [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methylpropyl] sulfate IUPAC Name: sodium [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methylpropyl] sulfate Traditional Name: sodium [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methyl-propyl] sulfate Formula: C18H20NNaO4S MolecularWeight: 369.41047

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)COS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)COS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H21NO4S.Na/c1-14(13-23-24(20,21)22)12-19-17-8-4-2-6-15(17)10-11-16-7-3-5-9-18(16)19;/h2-9,14H,10-13H2,1H3,(H,20,21,22);/q;+1/p-1