3-butyl-9-chloranyl-5-thiophen-2-yl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide

Systemtic Name: 3-butyl-9-chloranyl-5-thiophen-2-yl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide Openeye Name: 3-butyl-9-chloro-5-(2-thienyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide CAS Name: 3-butyl-9-chloro-5-thiophen-2-yl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide IUPAC Name: 3-butyl-9-chloro-5-thiophen-2-yl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide Traditional Name: 3-butyl-9-chloro-5-(2-thienyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide Formula: C18H23BrClNO2S MolecularWeight: 432.80272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC2=C(C(=C(C=C2C(C1)C3=CC=CS3)O)O)Cl.Br

Isomeric SMILES

CCCCN1CCC2=C(C(=C(C=C2C(C1)C3=CC=CS3)O)O)Cl.Br

InChI

InChI=1S/C18H22ClNO2S.BrH/c1-2-3-7-20-8-6-12-13(10-15(21)18(22)17(12)19)14(11-20)16-5-4-9-23-16;/h4-5,9-10,14,21-22H,2-3,6-8,11H2,1H3;1H