[(E)-1,1-bis(oxidanyl)-3-oxidanylidene-icos-11-en-2-yl]-methyl-azanium

Systemtic Name: [(E)-1,1-bis(oxidanyl)-3-oxidanylidene-icos-11-en-2-yl]-methyl-azanium Openeye Name: [(E)-1-(dihydroxymethyl)-2-oxo-nonadec-10-enyl]-methyl-ammonium CAS Name: [(E)-1,1-dihydroxy-3-oxoeicos-11-en-2-yl]-methylammonium IUPAC Name: [(E)-1,1-dihydroxy-3-oxoicos-11-en-2-yl]-methylazanium Traditional Name: [(E)-1-(dihydroxymethyl)-2-keto-nonadec-10-enyl]-methyl-ammonium Formula: C21H42NO3+ MolecularWeight: 356.56308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)C(C(O)O)[NH2+]C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)C(C(O)O)[NH2+]C

InChI

InChI=1S/C21H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(23)20(22-2)21(24)25/h10-11,20-22,24-25H,3-9,12-18H2,1-2H3/p+1/b11-10+