1-[4-(azepan-1-ium-1-yl)piperidin-1-yl]-2-naphthalen-2-yloxy-ethanone

Systemtic Name: 1-[4-(azepan-1-ium-1-yl)piperidin-1-yl]-2-naphthalen-2-yloxy-ethanone Openeye Name: 1-[4-(azepan-1-ium-1-yl)-1-piperidyl]-2-(2-naphthyloxy)ethanone CAS Name: 1-[4-(1-azepan-1-iumyl)-1-piperidinyl]-2-(2-naphthalenyloxy)ethanone IUPAC Name: 1-[4-(azepan-1-ium-1-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone Traditional Name: 1-[4-(azepan-1-ium-1-yl)piperidino]-2-(2-naphthoxy)ethanone Formula: C23H31N2O2+ MolecularWeight: 367.50444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCC[NH+](CC1)C2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H30N2O2/c26-23(18-27-22-10-9-19-7-3-4-8-20(19)17-22)25-15-11-21(12-16-25)24-13-5-1-2-6-14-24/h3-4,7-10,17,21H,1-2,5-6,11-16,18H2/p+1