2-(4-methoxyphenyl)ethyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-[(4-pyrimidin-2-yloxyphenyl)methyl]azanium

Systemtic Name: 2-(4-methoxyphenyl)ethyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-[(4-pyrimidin-2-yloxyphenyl)methyl]azanium Openeye Name: 2-(4-methoxyphenyl)ethyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-[(4-pyrimidin-2-yloxyphenyl)methyl]ammonium CAS Name: 2-(4-methoxyphenyl)ethyl-[(1-methyl-4-piperidin-1-iumyl)methyl]-[[4-(2-pyrimidinyloxy)phenyl]methyl]ammonium IUPAC Name: 2-(4-methoxyphenyl)ethyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-[(4-pyrimidin-2-yloxyphenyl)methyl]azanium Traditional Name: 2-(4-methoxyphenyl)ethyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-[4-(2-pyrimidyloxy)benzyl]ammonium Formula: C27H36N4O2+2 MolecularWeight: 448.60034

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C[NH+](CCC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC4=NC=CC=N4

Isomeric SMILES

C[NH+]1CCC(CC1)C[NH+](CCC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC4=NC=CC=N4

InChI

InChI=1S/C27H34N4O2/c1-30-17-12-24(13-18-30)21-31(19-14-22-4-8-25(32-2)9-5-22)20-23-6-10-26(11-7-23)33-27-28-15-3-16-29-27/h3-11,15-16,24H,12-14,17-21H2,1-2H3/p+2