2-(4-methoxyphenyl)ethyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-[(4-pyrazol-1-ylphenyl)methyl]azanium

Systemtic Name: 2-(4-methoxyphenyl)ethyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-[(4-pyrazol-1-ylphenyl)methyl]azanium Openeye Name: 2-(4-methoxyphenyl)ethyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-[(4-pyrazol-1-ylphenyl)methyl]ammonium CAS Name: 2-(4-methoxyphenyl)ethyl-[(1-methyl-4-piperidin-1-iumyl)methyl]-[[4-(1-pyrazolyl)phenyl]methyl]ammonium IUPAC Name: 2-(4-methoxyphenyl)ethyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-[(4-pyrazol-1-ylphenyl)methyl]azanium Traditional Name: 2-(4-methoxyphenyl)ethyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-(4-pyrazol-1-ylbenzyl)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=C(C=C3)N4C=CC=N4

Isomeric SMILES

C[NH+]1CCC(CC1)C[NH+](CCC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)N4C=CC=N4

InChI

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