cyclohexyl-methyl-[(2S)-2-oxidanyl-3-[3-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]azanium

Systemtic Name: cyclohexyl-methyl-[(2S)-2-oxidanyl-3-[3-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]azanium Openeye Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[(4-hydroxy-1-piperidin-1-iumyl)methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]phenoxy]propyl]-methyl-ammonium Formula: C22H38N2O3+2 MolecularWeight: 378.54872

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(COC1=CC=CC(=C1)C[NH+]2CCC(CC2)O)O)C3CCCCC3

Isomeric SMILES

C[NH+](C[C@@H](COC1=CC=CC(=C1)C[NH+]2CCC(CC2)O)O)C3CCCCC3

InChI

InChI=1S/C22H36N2O3/c1-23(19-7-3-2-4-8-19)16-21(26)17-27-22-9-5-6-18(14-22)15-24-12-10-20(25)11-13-24/h5-6,9,14,19-21,25-26H,2-4,7-8,10-13,15-17H2,1H3/p+2/t21-/m0/s1