8-(4-methoxycarbonylphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: 8-(4-methoxycarbonylphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: 8-(4-methoxycarbonylphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 8-(4-methoxycarbonylphenoxy)octyl ester IUPAC Name: 8-(4-methoxycarbonylphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 8-(4-carbomethoxyphenoxy)octyl ester Formula: C23H30NO5+ MolecularWeight: 400.488

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCOC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCOC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C23H30NO5/c1-24-15-9-10-20(18-24)23(26)29-17-8-6-4-3-5-7-16-28-21-13-11-19(12-14-21)22(25)27-2/h9-15,18H,3-8,16-17H2,1-2H3/q+1