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

Systemtic Name: methyl 2-ethyl-2-methyl-4-[4-[(4-pyridin-4-ylpyridin-1-ium-1-yl)methyl]phenyl]pentanoate; praseodymium Openeye Name: methyl 2-ethyl-2-methyl-4-[4-[[4-(4-pyridyl)pyridin-1-ium-1-yl]methyl]phenyl]pentanoate; praseodymium CAS Name: 2-ethyl-2-methyl-4-[4-[(4-pyridin-4-yl-1-pyridin-1-iumyl)methyl]phenyl]pentanoic acid methyl ester; praseodymium IUPAC Name: methyl 2-ethyl-2-methyl-4-[4-[(4-pyridin-4-ylpyridin-1-ium-1-yl)methyl]phenyl]pentanoate; praseodymium Traditional Name: 2-ethyl-2-methyl-4-[4-[[4-(4-pyridyl)pyridin-1-ium-1-yl]methyl]phenyl]valeric acid methyl ester; praseodymium Formula: C26H31N2O2Pr+ MolecularWeight: 544.44419

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N2O2.Pr/c1-5-26(3,25(29)30-4)18-20(2)22-8-6-21(7-9-22)19-28-16-12-24(13-17-28)23-10-14-27-15-11-23;/h6-17,20H,5,18-19H2,1-4H3;/q+1;