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

Systemtic Name: [1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-[(3-pyrazol-1-ylphenyl)methyl]azanium Openeye Name: [1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-[(3-pyrazol-1-ylphenyl)methyl]ammonium CAS Name: [1-[2-(2-methoxyphenyl)ethyl]-4-piperidin-1-iumyl]methyl-methyl-[[3-(1-pyrazolyl)phenyl]methyl]ammonium IUPAC Name: [1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-[(3-pyrazol-1-ylphenyl)methyl]azanium Traditional Name: [1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-(3-pyrazol-1-ylbenzyl)ammonium Formula: C26H36N4O+2 MolecularWeight: 420.59024

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1CC[NH+](CC1)CCC2=CC=CC=C2OC)CC3=CC(=CC=C3)N4C=CC=N4

Isomeric SMILES

C[NH+](CC1CC[NH+](CC1)CCC2=CC=CC=C2OC)CC3=CC(=CC=C3)N4C=CC=N4

InChI

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