8-(2-methoxyphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: 8-(2-methoxyphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: 8-(2-methoxyphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 8-(2-methoxyphenoxy)octyl ester IUPAC Name: 8-(2-methoxyphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 8-(2-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=C2OC

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCOC2=CC=CC=C2OC

InChI

InChI=1S/C22H30NO4/c1-23-15-11-12-19(18-23)22(24)27-17-10-6-4-3-5-9-16-26-21-14-8-7-13-20(21)25-2/h7-8,11-15,18H,3-6,9-10,16-17H2,1-2H3/q+1