2-hydroxyethyl-methyl-[(2S)-2-oxidanyl-3-[4-(3-oxidanylidenebutyl)phenoxy]propyl]azanium

Systemtic Name: 2-hydroxyethyl-methyl-[(2S)-2-oxidanyl-3-[4-(3-oxidanylidenebutyl)phenoxy]propyl]azanium Openeye Name: 2-hydroxyethyl-[(2S)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-methyl-ammonium CAS Name: 2-hydroxyethyl-[(2S)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-methylammonium IUPAC Name: 2-hydroxyethyl-[(2S)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-methylazanium Traditional Name: 2-hydroxyethyl-[(2S)-2-hydroxy-3-[4-(3-ketobutyl)phenoxy]propyl]-methyl-ammonium Formula: C16H26NO4+ MolecularWeight: 296.38194

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OCC(C[NH+](C)CCO)O

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OC[C@H](C[NH+](C)CCO)O

InChI

InChI=1S/C16H25NO4/c1-13(19)3-4-14-5-7-16(8-6-14)21-12-15(20)11-17(2)9-10-18/h5-8,15,18,20H,3-4,9-12H2,1-2H3/p+1/t15-/m0/s1