[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]methyl 8-pyridin-1-ium-1-yloctanoate

Systemtic Name: [5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]methyl 8-pyridin-1-ium-1-yloctanoate Openeye Name: [5-(3,4,5-trimethoxyphenyl)tetrahydrofuran-2-yl]methyl 8-pyridin-1-ium-1-yloctanoate CAS Name: 8-(1-pyridin-1-iumyl)octanoic acid [5-(3,4,5-trimethoxyphenyl)-2-oxolanyl]methyl ester IUPAC Name: [5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]methyl 8-pyridin-1-ium-1-yloctanoate Traditional Name: 8-pyridin-1-ium-1-ylcaprylic acid [5-(3,4,5-trimethoxyphenyl)tetrahydrofuran-2-yl]methyl ester Formula: C27H38NO6+ MolecularWeight: 472.59372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2CCC(O2)COC(=O)CCCCCCC[N+]3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2CCC(O2)COC(=O)CCCCCCC[N+]3=CC=CC=C3

InChI

InChI=1S/C27H38NO6/c1-30-24-18-21(19-25(31-2)27(24)32-3)23-14-13-22(34-23)20-33-26(29)12-8-5-4-6-9-15-28-16-10-7-11-17-28/h7,10-11,16-19,22-23H,4-6,8-9,12-15,20H2,1-3H3/q+1