[(2S)-1-[[(E)-octadec-9-enyl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[[(E)-octadec-9-enyl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-1-(hydroxymethyl)-2-[[(E)-octadec-9-enyl]amino]-2-oxo-ethyl]ammonium CAS Name: [(2S)-3-hydroxy-1-[[(E)-octadec-9-enyl]amino]-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-3-hydroxy-1-[[(E)-octadec-9-enyl]amino]-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-keto-1-methylol-2-[[(E)-octadec-9-enyl]amino]ethyl]ammonium Formula: C21H43N2O2+ MolecularWeight: 355.57832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCNC(=O)C(CO)[NH3+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCNC(=O)[C@H](CO)[NH3+]

InChI

InChI=1S/C21H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21(25)20(22)19-24/h9-10,20,24H,2-8,11-19,22H2,1H3,(H,23,25)/p+1/b10-9+/t20-/m0/s1