3-(azepan-1-ium-1-yl)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one chloride

Systemtic Name: 3-(azepan-1-ium-1-yl)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one chloride Openeye Name: 3-(azepan-1-ium-1-yl)-1-(2-methyl-2,3-dihydrobenzofuran-5-yl)propan-1-one chloride CAS Name: 3-(1-azepan-1-iumyl)-1-(2-methyl-2,3-dihydrobenzofuran-5-yl)-1-propanone chloride IUPAC Name: 3-(azepan-1-ium-1-yl)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one chloride Traditional Name: 3-(azepan-1-ium-1-yl)-1-(2-methylcoumaran-5-yl)propan-1-one chloride Formula: C18H26ClNO2 MolecularWeight: 323.85754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=CC(=C2)C(=O)CC[NH+]3CCCCCC3.[Cl-]

Isomeric SMILES

CC1CC2=C(O1)C=CC(=C2)C(=O)CC[NH+]3CCCCCC3.[Cl-]

InChI

InChI=1S/C18H25NO2.ClH/c1-14-12-16-13-15(6-7-18(16)21-14)17(20)8-11-19-9-4-2-3-5-10-19;/h6-7,13-14H,2-5,8-12H2,1H3;1H