[4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-(oxan-4-ylmethyl)azanium

Systemtic Name: [4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-(oxan-4-ylmethyl)azanium Openeye Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-(tetrahydropyran-4-ylmethyl)ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-(4-oxanylmethyl)ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-(oxan-4-ylmethyl)azanium Traditional Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-(tetrahydropyran-4-ylmethyl)ammonium Formula: C22H38N2O4+2 MolecularWeight: 394.54812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CC2CCOCC2)OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CC2CCOCC2)OC[C@@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C22H36N2O4/c1-26-21-6-5-19(15-23-14-18-7-11-27-12-8-18)13-22(21)28-17-20(25)16-24-9-3-2-4-10-24/h5-6,13,18,20,23,25H,2-4,7-12,14-17H2,1H3/p+2/t20-/m1/s1