8-(3-methoxyphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: 8-(3-methoxyphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: 8-(3-methoxyphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 8-(3-methoxyphenoxy)octyl ester IUPAC Name: 8-(3-methoxyphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 8-(3-methoxyphenoxy)octyl ester Formula: C22H30NO4+ MolecularWeight: 372.4779

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30NO4/c1-23-14-10-11-19(18-23)22(24)27-16-8-6-4-3-5-7-15-26-21-13-9-12-20(17-21)25-2/h9-14,17-18H,3-8,15-16H2,1-2H3/q+1