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

Systemtic Name: cyclooctyl-[(2S)-2-oxidanyl-3-[4-(3-oxidanylidenebutyl)phenoxy]propyl]azanium Openeye Name: cyclooctyl-[(2S)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]ammonium CAS Name: cyclooctyl-[(2S)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]ammonium IUPAC Name: cyclooctyl-[(2S)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]azanium Traditional Name: cyclooctyl-[(2S)-2-hydroxy-3-[4-(3-ketobutyl)phenoxy]propyl]ammonium Formula: C21H34NO3+ MolecularWeight: 348.49956

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OCC(C[NH2+]C2CCCCCCC2)O

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OC[C@H](C[NH2+]C2CCCCCCC2)O

InChI

InChI=1S/C21H33NO3/c1-17(23)9-10-18-11-13-21(14-12-18)25-16-20(24)15-22-19-7-5-3-2-4-6-8-19/h11-14,19-20,22,24H,2-10,15-16H2,1H3/p+1/t20-/m0/s1