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

Systemtic Name: diethyl-[(2S)-3-[2-methoxy-5-[(4-pyridin-1-ium-4-ylpiperazin-1-yl)methyl]phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-5-[(4-pyridin-1-ium-4-ylpiperazin-1-yl)methyl]phenoxy]propyl]ammonium CAS Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-5-[[4-(4-pyridin-1-iumyl)-1-piperazinyl]methyl]phenoxy]propyl]ammonium IUPAC Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-5-[(4-pyridin-1-ium-4-ylpiperazin-1-yl)methyl]phenoxy]propyl]azanium Traditional Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-5-[(4-pyridin-1-ium-4-ylpiperazino)methyl]phenoxy]propyl]ammonium Formula: C24H38N4O3+2 MolecularWeight: 430.58352

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(COC1=C(C=CC(=C1)CN2CCN(CC2)C3=CC=[NH+]C=C3)OC)O

Isomeric SMILES

CC[NH+](CC)C[C@@H](COC1=C(C=CC(=C1)CN2CCN(CC2)C3=CC=[NH+]C=C3)OC)O

InChI

InChI=1S/C24H36N4O3/c1-4-26(5-2)18-22(29)19-31-24-16-20(6-7-23(24)30-3)17-27-12-14-28(15-13-27)21-8-10-25-11-9-21/h6-11,16,22,29H,4-5,12-15,17-19H2,1-3H3/p+2/t22-/m0/s1