3-[4-[[2-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]piperazin-1-ium-1-yl]propanamide

Systemtic Name: 3-[4-[[2-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]piperazin-1-ium-1-yl]propanamide Openeye Name: 3-[4-[[2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]piperazin-1-ium-1-yl]propanamide CAS Name: 3-[4-[[2-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: 3-[4-[[2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl]piperazin-1-ium-1-yl]propanamide Traditional Name: 3-[4-[2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]piperazin-1-ium-1-yl]propionamide Formula: C22H38N4O3+2 MolecularWeight: 406.56212

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC=CC=C2CN3CC[NH+](CC3)CCC(=O)N)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@H](COC2=CC=CC=C2CN3CC[NH+](CC3)CCC(=O)N)O

InChI

InChI=1S/C22H36N4O3/c23-22(28)8-11-24-12-14-26(15-13-24)16-19-6-2-3-7-21(19)29-18-20(27)17-25-9-4-1-5-10-25/h2-3,6-7,20,27H,1,4-5,8-18H2,(H2,23,28)/p+2/t20-/m1/s1