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

Systemtic Name: cyclobutyl-[[5-methoxy-2-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]azanium Openeye Name: cyclobutyl-[[2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxy-phenyl]methyl]ammonium CAS Name: cyclobutyl-[[2-[(2R)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]-5-methoxyphenyl]methyl]ammonium IUPAC Name: cyclobutyl-[[2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxyphenyl]methyl]azanium Traditional Name: cyclobutyl-[2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxy-benzyl]ammonium Formula: C20H34N2O4+2 MolecularWeight: 366.49496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC(C[NH+]2CCC(CC2)O)O)C[NH2+]C3CCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC[C@@H](C[NH+]2CCC(CC2)O)O)C[NH2+]C3CCC3

InChI

InChI=1S/C20H32N2O4/c1-25-19-5-6-20(15(11-19)12-21-16-3-2-4-16)26-14-18(24)13-22-9-7-17(23)8-10-22/h5-6,11,16-18,21,23-24H,2-4,7-10,12-14H2,1H3/p+2/t18-/m1/s1