3-[[(E)-12-oxidanyloctadec-9-enoyl]amino]-2-(trimethylazaniumyl)pentanoate

Systemtic Name: 3-[[(E)-12-oxidanyloctadec-9-enoyl]amino]-2-(trimethylazaniumyl)pentanoate Openeye Name: 3-[[(E)-12-hydroxyoctadec-9-enoyl]amino]-2-(trimethylammonio)pentanoate CAS Name: 3-[[(E)-12-hydroxy-1-oxooctadec-9-enyl]amino]-2-(trimethylammonio)pentanoate IUPAC Name: 3-[[(E)-12-hydroxyoctadec-9-enoyl]amino]-2-(trimethylazaniumyl)pentanoate Traditional Name: 3-[[(E)-12-hydroxyoctadec-9-enoyl]amino]-2-(trimethylammonio)valerate Formula: C26H50N2O4 MolecularWeight: 454.6862

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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)/b17-14+