methyl 2-ethyl-5-[4-[1-(4-methoxycarbonyl-2-methyl-hexyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-4-methyl-pentanoate

Systemtic Name: methyl 2-ethyl-5-[4-[1-(4-methoxycarbonyl-2-methyl-hexyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-4-methyl-pentanoate Openeye Name: methyl 2-ethyl-5-[4-[1-(4-methoxycarbonyl-2-methyl-hexyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-4-methyl-pentanoate CAS Name: 2-ethyl-5-[4-[1-(4-methoxycarbonyl-2-methylhexyl)-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-ethyl-5-[4-[1-(4-methoxycarbonyl-2-methylhexyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-4-methylpentanoate Traditional Name: 5-[4-[1-(4-carbomethoxy-2-methyl-hexyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-ethyl-4-methyl-valeric acid methyl ester Formula: C28H42N2O4+2 MolecularWeight: 470.64408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42N2O4/c1-7-23(27(31)33-5)17-21(3)19-29-13-9-25(10-14-29)26-11-15-30(16-12-26)20-22(4)18-24(8-2)28(32)34-6/h9-16,21-24H,7-8,17-20H2,1-6H3/q+2