1-phenyl-3-(8-propanoyl-8-aza-3-azoniabicyclo[3.2.1]octan-3-yl)propan-1-one chloride

Systemtic Name: 1-phenyl-3-(8-propanoyl-8-aza-3-azoniabicyclo[3.2.1]octan-3-yl)propan-1-one chloride Openeye Name: 1-phenyl-3-(8-propanoyl-8-aza-3-azoniabicyclo[3.2.1]octan-3-yl)propan-1-one chloride CAS Name: 3-[8-(1-oxopropyl)-8-aza-3-azoniabicyclo[3.2.1]octan-3-yl]-1-phenyl-1-propanone chloride IUPAC Name: 1-phenyl-3-(8-propanoyl-8-aza-3-azoniabicyclo[3.2.1]octan-3-yl)propan-1-one chloride Traditional Name: 1-phenyl-3-(8-propionyl-8-aza-3-azoniabicyclo[3.2.1]octan-3-yl)propan-1-one chloride Formula: C18H25ClN2O2 MolecularWeight: 336.8563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C2CCC1C[NH+](C2)CCC(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCC(=O)N1C2CCC1C[NH+](C2)CCC(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C18H24N2O2.ClH/c1-2-18(22)20-15-8-9-16(20)13-19(12-15)11-10-17(21)14-6-4-3-5-7-14;/h3-7,15-16H,2,8-13H2,1H3;1H