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

Systemtic Name: 3-(2-oxidanylidenepyrrolidin-1-yl)propyl-[[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-[3-(2-oxopyrrolidin-1-yl)propyl]ammonium CAS Name: [4-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl-[3-(2-oxo-1-pyrrolidinyl)propyl]ammonium IUPAC Name: [4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium Traditional Name: [4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]-[3-(2-ketopyrrolidino)propyl]ammonium Formula: C22H37N3O3+2 MolecularWeight: 391.54748

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC=C(C=C2)C[NH2+]CCCN3CCCC3=O)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC=C(C=C2)C[NH2+]CCCN3CCCC3=O)O

InChI

InChI=1S/C22H35N3O3/c26-20(17-24-12-2-1-3-13-24)18-28-21-9-7-19(8-10-21)16-23-11-5-15-25-14-4-6-22(25)27/h7-10,20,23,26H,1-6,11-18H2/p+2/t20-/m0/s1