(2-methyl-1-oxidanyl-propan-2-yl)-[(2R)-2-oxidanyl-3-[4-(3-oxidanylidenebutyl)phenoxy]propyl]azanium

Systemtic Name: (2-methyl-1-oxidanyl-propan-2-yl)-[(2R)-2-oxidanyl-3-[4-(3-oxidanylidenebutyl)phenoxy]propyl]azanium Openeye Name: (2-hydroxy-1,1-dimethyl-ethyl)-[(2R)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]ammonium CAS Name: (1-hydroxy-2-methylpropan-2-yl)-[(2R)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]ammonium IUPAC Name: (1-hydroxy-2-methylpropan-2-yl)-[(2R)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]azanium Traditional Name: (2-hydroxy-1,1-dimethyl-ethyl)-[(2R)-2-hydroxy-3-[4-(3-ketobutyl)phenoxy]propyl]ammonium Formula: C17H28NO4+ MolecularWeight: 310.40852

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OCC(C[NH2+]C(C)(C)CO)O

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OC[C@@H](C[NH2+]C(C)(C)CO)O

InChI

InChI=1S/C17H27NO4/c1-13(20)4-5-14-6-8-16(9-7-14)22-11-15(21)10-18-17(2,3)12-19/h6-9,15,18-19,21H,4-5,10-12H2,1-3H3/p+1/t15-/m1/s1