[5-methoxy-2-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(2-pyridin-3-ylethyl)azanium

Systemtic Name: [5-methoxy-2-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(2-pyridin-3-ylethyl)azanium Openeye Name: [2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxy-phenyl]methyl-[2-(3-pyridyl)ethyl]ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]-5-methoxyphenyl]methyl-[2-(3-pyridinyl)ethyl]ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxyphenyl]methyl-(2-pyridin-3-ylethyl)azanium Traditional Name: [2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxy-benzyl]-[2-(3-pyridyl)ethyl]ammonium Formula: C23H35N3O4+2 MolecularWeight: 417.5417

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC(C[NH+]2CCC(CC2)O)O)C[NH2+]CCC3=CN=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC[C@@H](C[NH+]2CCC(CC2)O)O)C[NH2+]CCC3=CN=CC=C3

InChI

InChI=1S/C23H33N3O4/c1-29-22-4-5-23(30-17-21(28)16-26-11-7-20(27)8-12-26)19(13-22)15-25-10-6-18-3-2-9-24-14-18/h2-5,9,13-14,20-21,25,27-28H,6-8,10-12,15-17H2,1H3/p+2/t21-/m1/s1