9-chloranyl-5-phenyl-3-(thiophen-2-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol chloride

Systemtic Name: 9-chloranyl-5-phenyl-3-(thiophen-2-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol chloride Openeye Name: 9-chloro-5-phenyl-3-(2-thienylmethyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol chloride CAS Name: 9-chloro-5-phenyl-3-(thiophen-2-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol chloride IUPAC Name: 9-chloro-5-phenyl-3-(thiophen-2-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol chloride Traditional Name: 9-chloro-5-phenyl-3-(2-thenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol chloride Formula: C21H20Cl2NO2S- MolecularWeight: 421.36

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=CC=C3)CC4=CC=CS4.[Cl-]

Isomeric SMILES

C1CN(CC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=CC=C3)CC4=CC=CS4.[Cl-]

InChI

InChI=1S/C21H20ClNO2S.ClH/c22-20-16-8-9-23(12-15-7-4-10-26-15)13-18(14-5-2-1-3-6-14)17(16)11-19(24)21(20)25;/h1-7,10-11,18,24-25H,8-9,12-13H2;1H/p-1