3-(azepan-1-ium-1-yl)-1-(4-methoxyphenyl)-2-phenyl-propan-1-one chloride

Systemtic Name: 3-(azepan-1-ium-1-yl)-1-(4-methoxyphenyl)-2-phenyl-propan-1-one chloride Openeye Name: 3-(azepan-1-ium-1-yl)-1-(4-methoxyphenyl)-2-phenyl-propan-1-one chloride CAS Name: 3-(1-azepan-1-iumyl)-1-(4-methoxyphenyl)-2-phenyl-1-propanone chloride IUPAC Name: 3-(azepan-1-ium-1-yl)-1-(4-methoxyphenyl)-2-phenylpropan-1-one chloride Traditional Name: 3-(azepan-1-ium-1-yl)-1-(4-methoxyphenyl)-2-phenyl-propan-1-one chloride Formula: C22H28ClNO2 MolecularWeight: 373.91622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(C[NH+]2CCCCCC2)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C(C[NH+]2CCCCCC2)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C22H27NO2.ClH/c1-25-20-13-11-19(12-14-20)22(24)21(18-9-5-4-6-10-18)17-23-15-7-2-3-8-16-23;/h4-6,9-14,21H,2-3,7-8,15-17H2,1H3;1H