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

Systemtic Name: [4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]azanium Openeye Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-[2-(2-oxo-1-pyrrolidinyl)ethyl]ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]azanium Traditional Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-[2-(2-ketopyrrolidino)ethyl]ammonium Formula: C22H37N3O4+2 MolecularWeight: 407.54688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CCN2CCCC2=O)OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CCN2CCCC2=O)OC[C@@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C22H35N3O4/c1-28-20-8-7-18(15-23-9-13-25-12-5-6-22(25)27)14-21(20)29-17-19(26)16-24-10-3-2-4-11-24/h7-8,14,19,23,26H,2-6,9-13,15-17H2,1H3/p+2/t19-/m1/s1