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

Systemtic Name: 2-(2-oxidanylidenepyrrolidin-1-yl)ethyl-[[2-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: [2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]ammonium CAS Name: [2-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl-[2-(2-oxo-1-pyrrolidinyl)ethyl]ammonium IUPAC Name: [2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]azanium Traditional Name: [2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]-[2-(2-ketopyrrolidino)ethyl]ammonium Formula: C21H35N3O3+2 MolecularWeight: 377.5209

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC=CC=C2C[NH2+]CCN3CCCC3=O)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC=CC=C2C[NH2+]CCN3CCCC3=O)O

InChI

InChI=1S/C21H33N3O3/c25-19(16-23-11-4-1-5-12-23)17-27-20-8-3-2-7-18(20)15-22-10-14-24-13-6-9-21(24)26/h2-3,7-8,19,22,25H,1,4-6,9-17H2/p+2/t19-/m0/s1