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

Systemtic Name: methyl 1-[(2S)-2-oxidanyl-3-[3-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(2S)-2-hydroxy-3-[3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]phenoxy]propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2S)-2-hydroxy-3-[3-[(4-hydroxy-1-piperidin-1-iumyl)methyl]phenoxy]propyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(2S)-2-hydroxy-3-[3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]phenoxy]propyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2S)-2-hydroxy-3-[3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]phenoxy]propyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C22H36N2O5+2 MolecularWeight: 408.53164

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(COC2=CC=CC(=C2)C[NH+]3CCC(CC3)O)O

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)C[C@@H](COC2=CC=CC(=C2)C[NH+]3CCC(CC3)O)O

InChI

InChI=1S/C22H34N2O5/c1-28-22(27)18-5-9-24(10-6-18)15-20(26)16-29-21-4-2-3-17(13-21)14-23-11-7-19(25)8-12-23/h2-4,13,18-20,25-26H,5-12,14-16H2,1H3/p+2/t20-/m0/s1