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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[N+]1(CCOC2=CC=C(C=C2)CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CCC1CCCC[N+]1(CCOC2=CC=C(C=C2)CC3=CC=CC=C3)C(=O)[O-]

InChI

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