3-(6-methyl-7-phenethyl-7-azoniabicyclo[3.2.1]octan-5-yl)phenol chloride

Systemtic Name: 3-(6-methyl-7-phenethyl-7-azoniabicyclo[3.2.1]octan-5-yl)phenol chloride Openeye Name: 3-(6-methyl-7-phenethyl-7-azoniabicyclo[3.2.1]octan-5-yl)phenol chloride CAS Name: 3-(6-methyl-7-phenethyl-7-azoniabicyclo[3.2.1]octan-5-yl)phenol chloride IUPAC Name: 3-(6-methyl-7-phenethyl-7-azoniabicyclo[3.2.1]octan-5-yl)phenol chloride Traditional Name: 3-(6-methyl-7-phenethyl-7-azoniabicyclo[3.2.1]octan-5-yl)phenol chloride Formula: C22H28ClNO MolecularWeight: 357.91682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2(CCCC(C2)[NH+]1CCC3=CC=CC=C3)C4=CC(=CC=C4)O.[Cl-]

Isomeric SMILES

CC1C2(CCCC(C2)[NH+]1CCC3=CC=CC=C3)C4=CC(=CC=C4)O.[Cl-]

InChI

InChI=1S/C22H27NO.ClH/c1-17-22(19-9-5-11-21(24)15-19)13-6-10-20(16-22)23(17)14-12-18-7-3-2-4-8-18;/h2-5,7-9,11,15,17,20,24H,6,10,12-14,16H2,1H3;1H