1-ethyl-1-[2-[4-(phenylmethyl)phenoxy]ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-ethyl-1-[2-[4-(phenylmethyl)phenoxy]ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(4-benzylphenoxy)ethyl]-1-ethyl-piperidin-1-ium-4-carboxylate CAS Name: 1-ethyl-1-[2-[4-(phenylmethyl)phenoxy]ethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(4-benzylphenoxy)ethyl]-1-ethylpiperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(4-benzylphenoxy)ethyl]-1-ethyl-piperidin-1-ium-4-carboxylate Formula: C23H29NO3 MolecularWeight: 367.48126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC(CC1)C(=O)[O-])CCOC2=CC=C(C=C2)CC3=CC=CC=C3

Isomeric SMILES

CC[N+]1(CCC(CC1)C(=O)[O-])CCOC2=CC=C(C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C23H29NO3/c1-2-24(14-12-21(13-15-24)23(25)26)16-17-27-22-10-8-20(9-11-22)18-19-6-4-3-5-7-19/h3-11,21H,2,12-18H2,1H3