2-(2-oxidanylideneimidazolidin-1-yl)ethyl-[[4-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium

Systemtic Name: 2-(2-oxidanylideneimidazolidin-1-yl)ethyl-[[4-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: [4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-[2-(2-oxoimidazolidin-1-yl)ethyl]ammonium CAS Name: [4-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl-[2-(2-oxo-1-imidazolidinyl)ethyl]ammonium IUPAC Name: [4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl-[2-(2-oxoimidazolidin-1-yl)ethyl]azanium Traditional Name: [4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]-[2-(2-ketoimidazolidin-1-yl)ethyl]ammonium Formula: C20H34N4O3+2 MolecularWeight: 378.50896

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC=C(C=C2)C[NH2+]CCN3CCNC3=O)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC=C(C=C2)C[NH2+]CCN3CCNC3=O)O

InChI

InChI=1S/C20H32N4O3/c25-18(15-23-10-2-1-3-11-23)16-27-19-6-4-17(5-7-19)14-21-8-12-24-13-9-22-20(24)26/h4-7,18,21,25H,1-3,8-16H2,(H,22,26)/p+2/t18-/m0/s1