2-(4-methoxyphenyl)ethyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-[(1-pyridin-2-ylpyrrol-2-yl)methyl]azanium

Systemtic Name: 2-(4-methoxyphenyl)ethyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-[(1-pyridin-2-ylpyrrol-2-yl)methyl]azanium Openeye Name: 2-(4-methoxyphenyl)ethyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-[[1-(2-pyridyl)pyrrol-2-yl]methyl]ammonium CAS Name: 2-(4-methoxyphenyl)ethyl-[(1-methyl-4-piperidin-1-iumyl)methyl]-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: 2-(4-methoxyphenyl)ethyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-[(1-pyridin-2-ylpyrrol-2-yl)methyl]azanium Traditional Name: 2-(4-methoxyphenyl)ethyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-[[1-(2-pyridyl)pyrrol-2-yl]methyl]ammonium Formula: C26H36N4O+2 MolecularWeight: 420.59024

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C[NH+](CCC2=CC=C(C=C2)OC)CC3=CC=CN3C4=CC=CC=N4

Isomeric SMILES

C[NH+]1CCC(CC1)C[NH+](CCC2=CC=C(C=C2)OC)CC3=CC=CN3C4=CC=CC=N4

InChI

InChI=1S/C26H34N4O/c1-28-17-12-23(13-18-28)20-29(19-14-22-8-10-25(31-2)11-9-22)21-24-6-5-16-30(24)26-7-3-4-15-27-26/h3-11,15-16,23H,12-14,17-21H2,1-2H3/p+2