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

Systemtic Name: [2-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-(2-pyridin-3-yloxyethyl)azanium Openeye Name: [2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-[2-(3-pyridyloxy)ethyl]ammonium CAS Name: [2-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl-[2-(3-pyridinyloxy)ethyl]ammonium IUPAC Name: [2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl-(2-pyridin-3-yloxyethyl)azanium Traditional Name: [2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]-[2-(3-pyridyloxy)ethyl]ammonium Formula: C22H33N3O3+2 MolecularWeight: 387.51572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC=CC=C2C[NH2+]CCOC3=CN=CC=C3)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC=CC=C2C[NH2+]CCOC3=CN=CC=C3)O

InChI

InChI=1S/C22H31N3O3/c26-20(17-25-12-4-1-5-13-25)18-28-22-9-3-2-7-19(22)15-24-11-14-27-21-8-6-10-23-16-21/h2-3,6-10,16,20,24,26H,1,4-5,11-15,17-18H2/p+2/t20-/m0/s1