2-methoxyethyl-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]-[(3-pyrazol-1-ylphenyl)methyl]azanium

Systemtic Name: 2-methoxyethyl-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]-[(3-pyrazol-1-ylphenyl)methyl]azanium Openeye Name: 2-methoxyethyl-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]-[(3-pyrazol-1-ylphenyl)methyl]ammonium CAS Name: 2-methoxyethyl-[[1-[(2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]methyl]-[[3-(1-pyrazolyl)phenyl]methyl]ammonium IUPAC Name: 2-methoxyethyl-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]-[(3-pyrazol-1-ylphenyl)methyl]azanium Traditional Name: 2-methoxyethyl-[(1-o-anisylpiperidin-1-ium-4-yl)methyl]-(3-pyrazol-1-ylbenzyl)ammonium Formula: C27H38N4O2+2 MolecularWeight: 450.61622

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+](CC1CC[NH+](CC1)CC2=CC=CC=C2OC)CC3=CC(=CC=C3)N4C=CC=N4

Isomeric SMILES

COCC[NH+](CC1CC[NH+](CC1)CC2=CC=CC=C2OC)CC3=CC(=CC=C3)N4C=CC=N4

InChI

InChI=1S/C27H36N4O2/c1-32-18-17-30(21-24-7-5-9-26(19-24)31-14-6-13-28-31)20-23-11-15-29(16-12-23)22-25-8-3-4-10-27(25)33-2/h3-10,13-14,19,23H,11-12,15-18,20-22H2,1-2H3/p+2