diethyl-[(2R)-3-[2-methoxy-5-[(2-pyrazol-1-ylethylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]azanium

Systemtic Name: diethyl-[(2R)-3-[2-methoxy-5-[(2-pyrazol-1-ylethylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: diethyl-[(2R)-2-hydroxy-3-[2-methoxy-5-[(2-pyrazol-1-ylethylammonio)methyl]phenoxy]propyl]ammonium CAS Name: diethyl-[(2R)-2-hydroxy-3-[2-methoxy-5-[[2-(1-pyrazolyl)ethylammonio]methyl]phenoxy]propyl]ammonium IUPAC Name: diethyl-[(2R)-2-hydroxy-3-[2-methoxy-5-[(2-pyrazol-1-ylethylazaniumyl)methyl]phenoxy]propyl]azanium Traditional Name: diethyl-[(2R)-2-hydroxy-3-[2-methoxy-5-[(2-pyrazol-1-ylethylammonio)methyl]phenoxy]propyl]ammonium Formula: C20H34N4O3+2 MolecularWeight: 378.50896

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(COC1=C(C=CC(=C1)C[NH2+]CCN2C=CC=N2)OC)O

Isomeric SMILES

CC[NH+](CC)C[C@H](COC1=C(C=CC(=C1)C[NH2+]CCN2C=CC=N2)OC)O

InChI

InChI=1S/C20H32N4O3/c1-4-23(5-2)15-18(25)16-27-20-13-17(7-8-19(20)26-3)14-21-10-12-24-11-6-9-22-24/h6-9,11,13,18,21,25H,4-5,10,12,14-16H2,1-3H3/p+2/t18-/m1/s1