3-(azepan-1-ium-1-yl)-1-(3-hydroxyphenyl)propan-1-one

Systemtic Name: 3-(azepan-1-ium-1-yl)-1-(3-hydroxyphenyl)propan-1-one Openeye Name: 3-(azepan-1-ium-1-yl)-1-(3-hydroxyphenyl)propan-1-one CAS Name: 3-(1-azepan-1-iumyl)-1-(3-hydroxyphenyl)-1-propanone IUPAC Name: 3-(azepan-1-ium-1-yl)-1-(3-hydroxyphenyl)propan-1-one Traditional Name: 3-(azepan-1-ium-1-yl)-1-(3-hydroxyphenyl)propan-1-one Formula: C15H22NO2+ MolecularWeight: 248.34068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCC(=O)C2=CC(=CC=C2)O

Isomeric SMILES

C1CCC[NH+](CC1)CCC(=O)C2=CC(=CC=C2)O

InChI

InChI=1S/C15H21NO2/c17-14-7-5-6-13(12-14)15(18)8-11-16-9-3-1-2-4-10-16/h5-7,12,17H,1-4,8-11H2/p+1