trimethyl-[1-oxidanyl-1-oxidanylidene-3-[[(E)-12-oxidanyloctadec-9-enoyl]amino]pentan-2-yl]azanium

Systemtic Name: trimethyl-[1-oxidanyl-1-oxidanylidene-3-[[(E)-12-oxidanyloctadec-9-enoyl]amino]pentan-2-yl]azanium Openeye Name: [1-carboxy-2-[[(E)-12-hydroxyoctadec-9-enoyl]amino]butyl]-trimethyl-ammonium CAS Name: [1-hydroxy-3-[[(E)-12-hydroxy-1-oxooctadec-9-enyl]amino]-1-oxopentan-2-yl]-trimethylammonium IUPAC Name: [1-hydroxy-3-[[(E)-12-hydroxyoctadec-9-enoyl]amino]-1-oxopentan-2-yl]-trimethylazanium Traditional Name: [1-carboxy-2-[[(E)-12-hydroxyoctadec-9-enoyl]amino]butyl]-trimethyl-ammonium Formula: C26H51N2O4+ MolecularWeight: 455.69414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)NC(CC)C(C(=O)O)[N+](C)(C)C)O

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)NC(CC)C(C(=O)O)[N+](C)(C)C)O

InChI

InChI=1S/C26H50N2O4/c1-6-8-9-16-19-22(29)20-17-14-12-10-11-13-15-18-21-24(30)27-23(7-2)25(26(31)32)28(3,4)5/h14,17,22-23,25,29H,6-13,15-16,18-21H2,1-5H3,(H-,27,30,31,32)/p+1/b17-14+