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

Systemtic Name: sodium 3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl sulfate Openeye Name: sodium 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl sulfate CAS Name: sodium 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl sulfate IUPAC Name: sodium 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl sulfate Traditional Name: sodium 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl sulfate Formula: C17H17ClNNaO4S MolecularWeight: 389.82895

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C3=C1C=CC(=C3)Cl)CCCOS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1CC2=CC=CC=C2N(C3=C1C=CC(=C3)Cl)CCCOS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C17H18ClNO4S.Na/c18-15-9-8-14-7-6-13-4-1-2-5-16(13)19(17(14)12-15)10-3-11-23-24(20,21)22;/h1-2,4-5,8-9,12H,3,6-7,10-11H2,(H,20,21,22);/q;+1/p-1