2-[1-[[2-(4-ethylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]propanoate hydrochloride

Systemtic Name: 2-[1-[[2-(4-ethylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]propanoate hydrochloride Openeye Name: 2-[1-[[2-(4-ethylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]propanoate hydrochloride CAS Name: 2-[1-[[2-(4-ethylphenyl)phenyl]methoxy]-1-piperidin-1-iumyl]propanoate hydrochloride IUPAC Name: 2-[1-[[2-(4-ethylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]propanoate hydrochloride Traditional Name: 2-[1-[2-(4-ethylphenyl)benzyl]oxypiperidin-1-ium-1-yl]propionate hydrochloride Formula: C23H30ClNO3 MolecularWeight: 403.9422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC=CC=C2CO[N+]3(CCCCC3)C(C)C(=O)[O-].Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC=CC=C2CO[N+]3(CCCCC3)C(C)C(=O)[O-].Cl

InChI

InChI=1S/C23H29NO3.ClH/c1-3-19-11-13-20(14-12-19)22-10-6-5-9-21(22)17-27-24(18(2)23(25)26)15-7-4-8-16-24;/h5-6,9-14,18H,3-4,7-8,15-17H2,1-2H3;1H