1-[3-(4-phenylphenoxy)propyl]piperidin-1-ium-4-one

Systemtic Name: 1-[3-(4-phenylphenoxy)propyl]piperidin-1-ium-4-one Openeye Name: 1-[3-(4-phenylphenoxy)propyl]piperidin-1-ium-4-one CAS Name: 1-[3-(4-phenylphenoxy)propyl]-4-piperidin-1-iumone IUPAC Name: 1-[3-(4-phenylphenoxy)propyl]piperidin-1-ium-4-one Traditional Name: 1-[3-(4-phenylphenoxy)propyl]piperidin-1-ium-4-one Formula: C20H24NO2+ MolecularWeight: 310.41006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1=O)CCCOC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1=O)CCCOC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H23NO2/c22-19-11-14-21(15-12-19)13-4-16-23-20-9-7-18(8-10-20)17-5-2-1-3-6-17/h1-3,5-10H,4,11-16H2/p+1