methyl-[[2-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]-[(3-pyrazol-1-ylphenyl)methyl]azanium

Systemtic Name: methyl-[[2-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]-[(3-pyrazol-1-ylphenyl)methyl]azanium Openeye Name: [2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-methyl-[(3-pyrazol-1-ylphenyl)methyl]ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl-methyl-[[3-(1-pyrazolyl)phenyl]methyl]ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl-methyl-[(3-pyrazol-1-ylphenyl)methyl]azanium Traditional Name: [2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]-methyl-(3-pyrazol-1-ylbenzyl)ammonium Formula: C26H36N4O2+2 MolecularWeight: 436.58964

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)N2C=CC=N2)CC3=CC=CC=C3OCC(C[NH+]4CCCCC4)O

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)N2C=CC=N2)CC3=CC=CC=C3OC[C@@H](C[NH+]4CCCCC4)O

InChI

InChI=1S/C26H34N4O2/c1-28(18-22-9-7-11-24(17-22)30-16-8-13-27-30)19-23-10-3-4-12-26(23)32-21-25(31)20-29-14-5-2-6-15-29/h3-4,7-13,16-17,25,31H,2,5-6,14-15,18-21H2,1H3/p+2/t25-/m1/s1