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

Systemtic Name: [3-methoxy-4-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(2-pyridin-3-yloxyethyl)azanium Openeye Name: [4-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxy-phenyl]methyl-[2-(3-pyridyloxy)ethyl]ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]-3-methoxyphenyl]methyl-[2-(3-pyridinyloxy)ethyl]ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxyphenyl]methyl-(2-pyridin-3-yloxyethyl)azanium Traditional Name: [4-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxy-benzyl]-[2-(3-pyridyloxy)ethyl]ammonium Formula: C23H35N3O5+2 MolecularWeight: 433.5411

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCOC2=CN=CC=C2)OCC(C[NH+]3CCC(CC3)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCOC2=CN=CC=C2)OC[C@@H](C[NH+]3CCC(CC3)O)O

InChI

InChI=1S/C23H33N3O5/c1-29-23-13-18(14-25-9-12-30-21-3-2-8-24-15-21)4-5-22(23)31-17-20(28)16-26-10-6-19(27)7-11-26/h2-5,8,13,15,19-20,25,27-28H,6-7,9-12,14,16-17H2,1H3/p+2/t20-/m1/s1