diethyl-[(2S)-3-[2-methoxy-5-[(oxan-4-ylmethylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]azanium

Systemtic Name: diethyl-[(2S)-3-[2-methoxy-5-[(oxan-4-ylmethylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-5-[(tetrahydropyran-4-ylmethylammonio)methyl]phenoxy]propyl]ammonium CAS Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-5-[(4-oxanylmethylammonio)methyl]phenoxy]propyl]ammonium IUPAC Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-5-[(oxan-4-ylmethylazaniumyl)methyl]phenoxy]propyl]azanium Traditional Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-5-[(tetrahydropyran-4-ylmethylammonio)methyl]phenoxy]propyl]ammonium Formula: C21H38N2O4+2 MolecularWeight: 382.53742

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(COC1=C(C=CC(=C1)C[NH2+]CC2CCOCC2)OC)O

Isomeric SMILES

CC[NH+](CC)C[C@@H](COC1=C(C=CC(=C1)C[NH2+]CC2CCOCC2)OC)O

InChI

InChI=1S/C21H36N2O4/c1-4-23(5-2)15-19(24)16-27-21-12-18(6-7-20(21)25-3)14-22-13-17-8-10-26-11-9-17/h6-7,12,17,19,22,24H,4-5,8-11,13-16H2,1-3H3/p+2/t19-/m0/s1