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

Systemtic Name: diethyl-[(2S)-3-[2-methoxy-5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]ammonium CAS Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-5-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]phenoxy]propyl]ammonium IUPAC Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]azanium Traditional Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-5-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]phenoxy]propyl]ammonium Formula: C23H37N5O3+2 MolecularWeight: 431.57158

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(COC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=NC=CC=N3)OC)O

Isomeric SMILES

CC[NH+](CC)C[C@@H](COC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=NC=CC=N3)OC)O

InChI

InChI=1S/C23H35N5O3/c1-4-26(5-2)17-20(29)18-31-22-15-19(7-8-21(22)30-3)16-27-11-13-28(14-12-27)23-24-9-6-10-25-23/h6-10,15,20,29H,4-5,11-14,16-18H2,1-3H3/p+2/t20-/m0/s1