methyl 2-ethyl-2-methyl-4-(4-pyridin-4-ylpyridin-1-ium-1-yl)pentanoate; praseodymium

Systemtic Name: methyl 2-ethyl-2-methyl-4-(4-pyridin-4-ylpyridin-1-ium-1-yl)pentanoate; praseodymium Openeye Name: methyl 2-ethyl-2-methyl-4-[4-(4-pyridyl)pyridin-1-ium-1-yl]pentanoate; praseodymium CAS Name: 2-ethyl-2-methyl-4-(4-pyridin-4-yl-1-pyridin-1-iumyl)pentanoic acid methyl ester; praseodymium IUPAC Name: methyl 2-ethyl-2-methyl-4-(4-pyridin-4-ylpyridin-1-ium-1-yl)pentanoate; praseodymium Traditional Name: 2-ethyl-2-methyl-4-[4-(4-pyridyl)pyridin-1-ium-1-yl]valeric acid methyl ester; praseodymium Formula: C19H25N2O2Pr+ MolecularWeight: 454.32165

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N2O2.Pr/c1-5-19(3,18(22)23-4)14-15(2)21-12-8-17(9-13-21)16-6-10-20-11-7-16;/h6-13,15H,5,14H2,1-4H3;/q+1;