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

Systemtic Name: [4-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-(3-pyridin-3-yloxypropyl)azanium Openeye Name: [4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-[3-(3-pyridyloxy)propyl]ammonium CAS Name: [4-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl-[3-(3-pyridinyloxy)propyl]ammonium IUPAC Name: [4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl-(3-pyridin-3-yloxypropyl)azanium Traditional Name: [4-[(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=C(C=C2)C[NH2+]CCCOC3=CN=CC=C3)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC=C(C=C2)C[NH2+]CCCOC3=CN=CC=C3)O

InChI

InChI=1S/C23H33N3O3/c27-21(18-26-13-2-1-3-14-26)19-29-22-9-7-20(8-10-22)16-24-12-5-15-28-23-6-4-11-25-17-23/h4,6-11,17,21,24,27H,1-3,5,12-16,18-19H2/p+2/t21-/m0/s1