4-[2-(4-methylpyridin-1-ium-1-yl)ethoxycarbonyloxy]butyl 3-(4-methylpyridin-1-ium-1-yl)propanoate

Systemtic Name: 4-[2-(4-methylpyridin-1-ium-1-yl)ethoxycarbonyloxy]butyl 3-(4-methylpyridin-1-ium-1-yl)propanoate Openeye Name: 4-[2-(4-methylpyridin-1-ium-1-yl)ethoxycarbonyloxy]butyl 3-(4-methylpyridin-1-ium-1-yl)propanoate CAS Name: 3-(4-methyl-1-pyridin-1-iumyl)propanoic acid 4-[2-(4-methyl-1-pyridin-1-iumyl)ethoxy-oxomethoxy]butyl ester IUPAC Name: 4-[2-(4-methylpyridin-1-ium-1-yl)ethoxycarbonyloxy]butyl 3-(4-methylpyridin-1-ium-1-yl)propanoate Traditional Name: 3-(4-methylpyridin-1-ium-1-yl)propionic acid 4-[2-(4-methylpyridin-1-ium-1-yl)ethoxycarbonyloxy]butyl ester Formula: C22H30N2O5+2 MolecularWeight: 402.484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CCC(=O)OCCCCOC(=O)OCC[N+]2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=[N+](C=C1)CCC(=O)OCCCCOC(=O)OCC[N+]2=CC=C(C=C2)C

InChI

InChI=1S/C22H30N2O5/c1-19-5-10-23(11-6-19)14-9-21(25)27-16-3-4-17-28-22(26)29-18-15-24-12-7-20(2)8-13-24/h5-8,10-13H,3-4,9,14-18H2,1-2H3/q+2