[2-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-(2-pyridin-4-ylethyl)azanium

Systemtic Name: [2-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-(2-pyridin-4-ylethyl)azanium Openeye Name: [2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-[2-(4-pyridyl)ethyl]ammonium CAS Name: [2-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl-(2-pyridin-4-ylethyl)ammonium IUPAC Name: [2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl-(2-pyridin-4-ylethyl)azanium Traditional Name: [2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]-[2-(4-pyridyl)ethyl]ammonium Formula: C22H33N3O2+2 MolecularWeight: 371.51632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC=CC=C2C[NH2+]CCC3=CC=NC=C3)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC=CC=C2C[NH2+]CCC3=CC=NC=C3)O

InChI

InChI=1S/C22H31N3O2/c26-21(17-25-14-4-1-5-15-25)18-27-22-7-3-2-6-20(22)16-24-13-10-19-8-11-23-12-9-19/h2-3,6-9,11-12,21,24,26H,1,4-5,10,13-18H2/p+2/t21-/m0/s1