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

Systemtic Name: 2-(2-methoxyphenyl)ethyl-[[2-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: [2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-[2-(2-methoxyphenyl)ethyl]ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl-[2-(2-methoxyphenyl)ethyl]ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl-[2-(2-methoxyphenyl)ethyl]azanium Traditional Name: [2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]-[2-(2-methoxyphenyl)ethyl]ammonium Formula: C24H36N2O3+2 MolecularWeight: 400.55424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CC[NH2+]CC2=CC=CC=C2OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

COC1=CC=CC=C1CC[NH2+]CC2=CC=CC=C2OC[C@@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C24H34N2O3/c1-28-23-11-5-3-9-20(23)13-14-25-17-21-10-4-6-12-24(21)29-19-22(27)18-26-15-7-2-8-16-26/h3-6,9-12,22,25,27H,2,7-8,13-19H2,1H3/p+2/t22-/m1/s1