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

Systemtic Name: (5-fluoranyl-2-methyl-phenyl)methyl-[[4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: (5-fluoro-2-methyl-phenyl)methyl-[[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: (5-fluoro-2-methylphenyl)methyl-[[3-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl]ammonium IUPAC Name: (5-fluoro-2-methylphenyl)methyl-[[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl]azanium Traditional Name: (5-fluoro-2-methyl-benzyl)-[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]ammonium Formula: C24H35FN2O3+2 MolecularWeight: 418.544703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)C[NH2+]CC2=CC(=C(C=C2)OC)OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

CC1=C(C=C(C=C1)F)C[NH2+]CC2=CC(=C(C=C2)OC)OC[C@@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C24H33FN2O3/c1-18-6-8-21(25)13-20(18)15-26-14-19-7-9-23(29-2)24(12-19)30-17-22(28)16-27-10-4-3-5-11-27/h6-9,12-13,22,26,28H,3-5,10-11,14-17H2,1-2H3/p+2/t22-/m1/s1