diethyl-[(2S)-3-[2-methoxy-5-[(4-pyridin-3-yloxypiperidin-1-ium-1-yl)methyl]phenoxy]-2-oxidanyl-propyl]azanium

Systemtic Name: diethyl-[(2S)-3-[2-methoxy-5-[(4-pyridin-3-yloxypiperidin-1-ium-1-yl)methyl]phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-5-[[4-(3-pyridyloxy)piperidin-1-ium-1-yl]methyl]phenoxy]propyl]ammonium CAS Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-5-[[4-(3-pyridinyloxy)-1-piperidin-1-iumyl]methyl]phenoxy]propyl]ammonium IUPAC Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-5-[(4-pyridin-3-yloxypiperidin-1-ium-1-yl)methyl]phenoxy]propyl]azanium Traditional Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-5-[[4-(3-pyridyloxy)piperidin-1-ium-1-yl]methyl]phenoxy]propyl]ammonium Formula: C25H39N3O4+2 MolecularWeight: 445.59486

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(COC1=C(C=CC(=C1)C[NH+]2CCC(CC2)OC3=CN=CC=C3)OC)O

Isomeric SMILES

CC[NH+](CC)C[C@@H](COC1=C(C=CC(=C1)C[NH+]2CCC(CC2)OC3=CN=CC=C3)OC)O

InChI

InChI=1S/C25H37N3O4/c1-4-27(5-2)18-21(29)19-31-25-15-20(8-9-24(25)30-3)17-28-13-10-22(11-14-28)32-23-7-6-12-26-16-23/h6-9,12,15-16,21-22,29H,4-5,10-11,13-14,17-19H2,1-3H3/p+2/t21-/m0/s1