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

Systemtic Name: ethyl-[[2-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]-(2-pyrazol-1-ylethyl)azanium Openeye Name: ethyl-[[2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]-(2-pyrazol-1-ylethyl)ammonium CAS Name: ethyl-[[2-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl]-[2-(1-pyrazolyl)ethyl]ammonium IUPAC Name: ethyl-[[2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl]-(2-pyrazol-1-ylethyl)azanium Traditional Name: ethyl-[2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]-(2-pyrazol-1-ylethyl)ammonium Formula: C22H36N4O2+2 MolecularWeight: 388.54684

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCN1C=CC=N1)CC2=CC=CC=C2OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

CC[NH+](CCN1C=CC=N1)CC2=CC=CC=C2OC[C@@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C22H34N4O2/c1-2-24(15-16-26-14-8-11-23-26)17-20-9-4-5-10-22(20)28-19-21(27)18-25-12-6-3-7-13-25/h4-5,8-11,14,21,27H,2-3,6-7,12-13,15-19H2,1H3/p+2/t21-/m1/s1