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

Systemtic Name: 2-(4-fluorophenyl)ethyl-[[4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: 2-(4-fluorophenyl)ethyl-[[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: 2-(4-fluorophenyl)ethyl-[[3-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl]ammonium IUPAC Name: 2-(4-fluorophenyl)ethyl-[[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl]azanium Traditional Name: 2-(4-fluorophenyl)ethyl-[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:

COC1=C(C=C(C=C1)C[NH2+]CCC2=CC=C(C=C2)F)OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CCC2=CC=C(C=C2)F)OC[C@@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C24H33FN2O3/c1-29-23-10-7-20(16-26-12-11-19-5-8-21(25)9-6-19)15-24(23)30-18-22(28)17-27-13-3-2-4-14-27/h5-10,15,22,26,28H,2-4,11-14,16-18H2,1H3/p+2/t22-/m1/s1