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

Systemtic Name: [4-methoxy-2-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-[2-(2-oxidanylideneimidazolidin-1-yl)ethyl]azanium Openeye Name: [2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-[2-(2-oxoimidazolidin-1-yl)ethyl]ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-[2-(2-oxo-1-imidazolidinyl)ethyl]ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-[2-(2-oxoimidazolidin-1-yl)ethyl]azanium Traditional Name: [2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-[2-(2-ketoimidazolidin-1-yl)ethyl]ammonium Formula: C20H34N4O4+2 MolecularWeight: 394.50836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH2+]CCN2CCNC2=O)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH2+]CCN2CCNC2=O)OC[C@@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C20H32N4O4/c1-27-18-5-4-16(13-21-6-10-24-11-7-22-20(24)26)19(12-18)28-15-17(25)14-23-8-2-3-9-23/h4-5,12,17,21,25H,2-3,6-11,13-15H2,1H3,(H,22,26)/p+2/t17-/m1/s1