[2-octanoyloxy-4-[2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl]phenyl] octanoate

Systemtic Name: [2-octanoyloxy-4-[2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl]phenyl] octanoate Openeye Name: [2-octanoyloxy-4-[2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl]phenyl] octanoate CAS Name: octanoic acid [2-(1-oxooctoxy)-4-[2-(2,4,6-trimethyl-1-pyridin-1-iumyl)ethyl]phenyl] ester IUPAC Name: [2-octanoyloxy-4-[2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl]phenyl] octanoate Traditional Name: caprylic acid [2-caprylyloxy-4-[2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl]phenyl] ester Formula: C32H48NO4+ MolecularWeight: 510.72782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=C(C=C(C=C1)CC[N+]2=C(C=C(C=C2C)C)C)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC(=O)OC1=C(C=C(C=C1)CC[N+]2=C(C=C(C=C2C)C)C)OC(=O)CCCCCCC

InChI

InChI=1S/C32H48NO4/c1-6-8-10-12-14-16-31(34)36-29-19-18-28(20-21-33-26(4)22-25(3)23-27(33)5)24-30(29)37-32(35)17-15-13-11-9-7-2/h18-19,22-24H,6-17,20-21H2,1-5H3/q+1