methyl 2-ethyl-4-[4-[[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]pentanoate

Systemtic Name: methyl 2-ethyl-4-[4-[[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]pentanoate Openeye Name: methyl 2-ethyl-4-[4-[[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]pentanoate CAS Name: 2-ethyl-4-[4-[[4-(1-methyl-4-pyridin-1-iumyl)-1-pyridin-1-iumyl]methyl]phenyl]pentanoic acid methyl ester IUPAC Name: methyl 2-ethyl-4-[4-[[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]pentanoate Traditional Name: 2-ethyl-4-[4-[[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]valeric acid methyl ester Formula: C26H32N2O2+2 MolecularWeight: 404.54448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)C)C(=O)OC

Isomeric SMILES

CCC(CC(C)C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)C)C(=O)OC

InChI

InChI=1S/C26H32N2O2/c1-5-22(26(29)30-4)18-20(2)23-8-6-21(7-9-23)19-28-16-12-25(13-17-28)24-10-14-27(3)15-11-24/h6-17,20,22H,5,18-19H2,1-4H3/q+2