diethyl-[(2S)-3-[2-methoxy-5-[(2-pyridin-3-ylethylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]azanium

Systemtic Name: diethyl-[(2S)-3-[2-methoxy-5-[(2-pyridin-3-ylethylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-5-[[2-(3-pyridyl)ethylammonio]methyl]phenoxy]propyl]ammonium CAS Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-5-[[2-(3-pyridinyl)ethylammonio]methyl]phenoxy]propyl]ammonium IUPAC Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-5-[(2-pyridin-3-ylethylazaniumyl)methyl]phenoxy]propyl]azanium Traditional Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-5-[[2-(3-pyridyl)ethylammonio]methyl]phenoxy]propyl]ammonium Formula: C22H35N3O3+2 MolecularWeight: 389.5316

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(COC1=C(C=CC(=C1)C[NH2+]CCC2=CN=CC=C2)OC)O

Isomeric SMILES

CC[NH+](CC)C[C@@H](COC1=C(C=CC(=C1)C[NH2+]CCC2=CN=CC=C2)OC)O

InChI

InChI=1S/C22H33N3O3/c1-4-25(5-2)16-20(26)17-28-22-13-19(8-9-21(22)27-3)15-24-12-10-18-7-6-11-23-14-18/h6-9,11,13-14,20,24,26H,4-5,10,12,15-17H2,1-3H3/p+2/t20-/m0/s1