2-(4-methoxyphenyl)ethyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate

Systemtic Name: 2-(4-methoxyphenyl)ethyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate Openeye Name: 2-(4-methoxyphenyl)ethyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate CAS Name: 1-ethyl-4-phenyl-3-pyridin-1-iumcarboxylic acid 2-(4-methoxyphenyl)ethyl ester IUPAC Name: 2-(4-methoxyphenyl)ethyl 1-ethyl-4-phenylpyridin-1-ium-3-carboxylate Traditional Name: 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylic acid 2-(4-methoxyphenyl)ethyl ester Formula: C23H24NO3+ MolecularWeight: 362.44156

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OCCC3=CC=C(C=C3)OC

Isomeric SMILES

CC[N+]1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OCCC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H24NO3/c1-3-24-15-13-21(19-7-5-4-6-8-19)22(17-24)23(25)27-16-14-18-9-11-20(26-2)12-10-18/h4-13,15,17H,3,14,16H2,1-2H3/q+1