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

Systemtic Name: [4-methoxy-3-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]azanium Openeye Name: [3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-[2-(2-oxo-1-pyrrolidinyl)ethyl]ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]azanium Traditional Name: [3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-[2-(2-ketopyrrolidino)ethyl]ammonium Formula: C21H35N3O4+2 MolecularWeight: 393.5203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CCN2CCCC2=O)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CCN2CCCC2=O)OC[C@@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C21H33N3O4/c1-27-19-7-6-17(14-22-8-12-24-11-4-5-21(24)26)13-20(19)28-16-18(25)15-23-9-2-3-10-23/h6-7,13,18,22,25H,2-5,8-12,14-16H2,1H3/p+2/t18-/m1/s1