[3-[(2S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(2-pyridin-2-ylethyl)azanium

Systemtic Name: [3-[(2S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [3-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [3-[(2S)-2-hydroxy-3-(4-methoxycarbonyl-1-piperidin-1-iumyl)propoxy]phenyl]methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [3-[(2S)-2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [3-[(2S)-3-(4-carbomethoxypiperidin-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]-[2-(2-pyridyl)ethyl]ammonium Formula: C24H35N3O4+2 MolecularWeight: 429.5524

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(COC2=CC=CC(=C2)C[NH2+]CCC3=CC=CC=N3)O

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)C[C@@H](COC2=CC=CC(=C2)C[NH2+]CCC3=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+2/t22-/m0/s1