(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)-phenethyl-azanium dichloride

Systemtic Name: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)-phenethyl-azanium dichloride Openeye Name: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)-phenethyl-ammonium dichloride CAS Name: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)-phenethylammonium dichloride IUPAC Name: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)-phenethylazanium dichloride Traditional Name: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)-phenethyl-ammonium dichloride Formula: C16H26Cl2N2 MolecularWeight: 317.29704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C2CCC1CC(C2)[NH2+]CCC3=CC=CC=C3.[Cl-].[Cl-]

Isomeric SMILES

C[NH+]1C2CCC1CC(C2)[NH2+]CCC3=CC=CC=C3.[Cl-].[Cl-]

InChI

InChI=1S/C16H24N2.2ClH/c1-18-15-7-8-16(18)12-14(11-15)17-10-9-13-5-3-2-4-6-13;;/h2-6,14-17H,7-12H2,1H3;2*1H