diethyl-[(2S)-3-[2-methoxy-4-[(2-pyridin-3-yloxyethylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]azanium

Systemtic Name: diethyl-[(2S)-3-[2-methoxy-4-[(2-pyridin-3-yloxyethylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[[2-(3-pyridyloxy)ethylammonio]methyl]phenoxy]propyl]ammonium CAS Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[[2-(3-pyridinyloxy)ethylammonio]methyl]phenoxy]propyl]ammonium IUPAC Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[(2-pyridin-3-yloxyethylazaniumyl)methyl]phenoxy]propyl]azanium Traditional Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[[2-(3-pyridyloxy)ethylammonio]methyl]phenoxy]propyl]ammonium Formula: C22H35N3O4+2 MolecularWeight: 405.531

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(COC1=C(C=C(C=C1)C[NH2+]CCOC2=CN=CC=C2)OC)O

Isomeric SMILES

CC[NH+](CC)C[C@@H](COC1=C(C=C(C=C1)C[NH2+]CCOC2=CN=CC=C2)OC)O

InChI

InChI=1S/C22H33N3O4/c1-4-25(5-2)16-19(26)17-29-21-9-8-18(13-22(21)27-3)14-24-11-12-28-20-7-6-10-23-15-20/h6-10,13,15,19,24,26H,4-5,11-12,14,16-17H2,1-3H3/p+2/t19-/m0/s1