2-[2,4-bis(4-ethoxyphenyl)-6-methyl-pyridin-1-ium-1-yl]-N,N-diethyl-ethanamine perchlorate

Systemtic Name: 2-[2,4-bis(4-ethoxyphenyl)-6-methyl-pyridin-1-ium-1-yl]-N,N-diethyl-ethanamine perchlorate Openeye Name: 2-[2,4-bis(4-ethoxyphenyl)-6-methyl-pyridin-1-ium-1-yl]-N,N-diethyl-ethanamine perchlorate CAS Name: 2-[2,4-bis(4-ethoxyphenyl)-6-methyl-1-pyridin-1-iumyl]-N,N-diethylethanamine perchlorate IUPAC Name: 2-[2,4-bis(4-ethoxyphenyl)-6-methylpyridin-1-ium-1-yl]-N,N-diethylethanamine perchlorate Traditional Name: diethyl-[2-[2-methyl-4,6-bis(p-phenetyl)pyridin-1-ium-1-yl]ethyl]amine perchlorate Formula: C28H37ClN2O6 MolecularWeight: 533.05618

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC[N+]1=C(C=C(C=C1C)C2=CC=C(C=C2)OCC)C3=CC=C(C=C3)OCC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCN(CC)CC[N+]1=C(C=C(C=C1C)C2=CC=C(C=C2)OCC)C3=CC=C(C=C3)OCC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C28H37N2O2.ClHO4/c1-6-29(7-2)18-19-30-22(5)20-25(23-10-14-26(15-11-23)31-8-3)21-28(30)24-12-16-27(17-13-24)32-9-4;2-1(3,4)5/h10-17,20-21H,6-9,18-19H2,1-5H3;(H,2,3,4,5)/q+1;/p-1