2-[1-[[2-(4-methylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]propanoic acid

Systemtic Name: 2-[1-[[2-(4-methylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]propanoic acid Openeye Name: 2-[1-[[2-(p-tolyl)phenyl]methoxy]piperidin-1-ium-1-yl]propanoic acid CAS Name: 2-[1-[[2-(4-methylphenyl)phenyl]methoxy]-1-piperidin-1-iumyl]propanoic acid IUPAC Name: 2-[1-[[2-(4-methylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]propanoic acid Traditional Name: 2-[1-[2-(p-tolyl)benzyl]oxypiperidin-1-ium-1-yl]propionic acid Formula: C22H28NO3+ MolecularWeight: 354.46262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=CC=C2CO[N+]3(CCCCC3)C(C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=CC=C2CO[N+]3(CCCCC3)C(C)C(=O)O

InChI

InChI=1S/C22H27NO3/c1-17-10-12-19(13-11-17)21-9-5-4-8-20(21)16-26-23(18(2)22(24)25)14-6-3-7-15-23/h4-5,8-13,18H,3,6-7,14-16H2,1-2H3/p+1