1'-phenethylspiro[benzo[b][1]benzothiepine-5,4'-piperidine]-6-one hydrobromide

Systemtic Name: 1'-phenethylspiro[benzo[b][1]benzothiepine-5,4'-piperidine]-6-one hydrobromide Openeye Name: 1'-phenethylspiro[benzo[b][1]benzothiepine-5,4'-piperidine]-6-one hydrobromide CAS Name: 1'-phenethyl-6-spiro[benzo[b][1]benzothiepin-5,4'-piperidine]one hydrobromide IUPAC Name: 1'-phenethylspiro[benzo[b][1]benzothiepine-5,4'-piperidine]-6-one hydrobromide Traditional Name: 1'-phenethylspiro[benzo[b][1]benzothiepin-5,4'-piperidine]-6-one hydrobromide Formula: C26H26BrNOS MolecularWeight: 480.45974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12C3=CC=CC=C3SC4=CC=CC=C4C2=O)CCC5=CC=CC=C5.Br

Isomeric SMILES

C1CN(CCC12C3=CC=CC=C3SC4=CC=CC=C4C2=O)CCC5=CC=CC=C5.Br

InChI

InChI=1S/C26H25NOS.BrH/c28-25-21-10-4-6-12-23(21)29-24-13-7-5-11-22(24)26(25)15-18-27(19-16-26)17-14-20-8-2-1-3-9-20;/h1-13H,14-19H2;1H