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

Systemtic Name: [2-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-(3-pyridin-3-yloxypropyl)azanium Openeye Name: [2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-[3-(3-pyridyloxy)propyl]ammonium CAS Name: [2-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl-[3-(3-pyridinyloxy)propyl]ammonium IUPAC Name: [2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl-(3-pyridin-3-yloxypropyl)azanium Traditional Name: [2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]-[3-(3-pyridyloxy)propyl]ammonium Formula: C23H35N3O3+2 MolecularWeight: 401.5423

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC=CC=C2C[NH2+]CCCOC3=CN=CC=C3)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC=CC=C2C[NH2+]CCCOC3=CN=CC=C3)O

InChI

InChI=1S/C23H33N3O3/c27-21(18-26-13-4-1-5-14-26)19-29-23-10-3-2-8-20(23)16-24-12-7-15-28-22-9-6-11-25-17-22/h2-3,6,8-11,17,21,24,27H,1,4-5,7,12-16,18-19H2/p+2/t21-/m0/s1