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

Systemtic Name: methyl 1-[(2S)-2-oxidanyl-3-[3-[(2-pyridin-2-ylethylamino)methyl]phenoxy]propyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(2S)-2-hydroxy-3-[3-[[2-(2-pyridyl)ethylamino]methyl]phenoxy]propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2S)-2-hydroxy-3-[3-[[2-(2-pyridinyl)ethylamino]methyl]phenoxy]propyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(2S)-2-hydroxy-3-[3-[(2-pyridin-2-ylethylamino)methyl]phenoxy]propyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2S)-2-hydroxy-3-[3-[[2-(2-pyridyl)ethylamino]methyl]phenoxy]propyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C24H34N3O4+ MolecularWeight: 428.54446

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(COC2=CC=CC(=C2)CNCCC3=CC=CC=N3)O

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)C[C@@H](COC2=CC=CC(=C2)CNCCC3=CC=CC=N3)O

InChI

InChI=1S/C24H33N3O4/c1-30-24(29)20-9-13-27(14-10-20)17-22(28)18-31-23-7-4-5-19(15-23)16-25-12-8-21-6-2-3-11-26-21/h2-7,11,15,20,22,25,28H,8-10,12-14,16-18H2,1H3/p+1/t22-/m0/s1