cyclooctyl-[[3-[(2S)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]azanium

Systemtic Name: cyclooctyl-[[3-[(2S)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]azanium Openeye Name: cyclooctyl-[[3-[(2S)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]phenyl]methyl]ammonium CAS Name: cyclooctyl-[[3-[(2S)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]phenyl]methyl]ammonium IUPAC Name: cyclooctyl-[[3-[(2S)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]phenyl]methyl]azanium Traditional Name: cyclooctyl-[3-[(2S)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]benzyl]ammonium Formula: C23H40N2O3+2 MolecularWeight: 392.5753

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)[NH2+]CC2=CC(=CC=C2)OCC(C[NH+]3CCC(CC3)O)O

Isomeric SMILES

C1CCCC(CCC1)[NH2+]CC2=CC(=CC=C2)OC[C@H](C[NH+]3CCC(CC3)O)O

InChI

InChI=1S/C23H38N2O3/c26-21-11-13-25(14-12-21)17-22(27)18-28-23-10-6-7-19(15-23)16-24-20-8-4-2-1-3-5-9-20/h6-7,10,15,20-22,24,26-27H,1-5,8-9,11-14,16-18H2/p+2/t22-/m0/s1