bromanylbenzene; 2-[(4-oxidanylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one

Systemtic Name: bromanylbenzene; 2-[(4-oxidanylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one Openeye Name: bromobenzene; 2-[(4-hydroxy-1-piperidyl)methyl]tetralin-1-one CAS Name: bromobenzene; 2-[(4-hydroxy-1-piperidinyl)methyl]-3,4-dihydro-2H-naphthalen-1-one IUPAC Name: bromobenzene; 2-[(4-hydroxypiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one Traditional Name: bromobenzene; 2-[(4-hydroxypiperidino)methyl]tetralin-1-one Formula: C22H26BrNO2 MolecularWeight: 416.35134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C(=O)C1CN3CCC(CC3)O.C1=CC=C(C=C1)Br

Isomeric SMILES

C1CC2=CC=CC=C2C(=O)C1CN3CCC(CC3)O.C1=CC=C(C=C1)Br

InChI

InChI=1S/C16H21NO2.C6H5Br/c18-14-7-9-17(10-8-14)11-13-6-5-12-3-1-2-4-15(12)16(13)19;7-6-4-2-1-3-5-6/h1-4,13-14,18H,5-11H2;1-5H