trimethyl-[3-[[(Z)-octadec-9-enoyl]amino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: trimethyl-[3-[[(Z)-octadec-9-enoyl]amino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [1-carboxy-2-[[(Z)-octadec-9-enoyl]amino]butyl]-trimethyl-ammonium CAS Name: [1-hydroxy-1-oxo-3-[[(Z)-1-oxooctadec-9-enyl]amino]pentan-2-yl]-trimethylammonium IUPAC Name: [1-hydroxy-3-[[(Z)-octadec-9-enoyl]amino]-1-oxopentan-2-yl]-trimethylazanium Traditional Name: [1-carboxy-2-[[(Z)-octadec-9-enoyl]amino]butyl]-trimethyl-ammonium Formula: C26H51N2O3+ MolecularWeight: 439.69474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H50N2O3/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(29)27-23(7-2)25(26(30)31)28(3,4)5/h14-15,23,25H,6-13,16-22H2,1-5H3,(H-,27,29,30,31)/p+1/b15-14-