dimethyl-[1-[[(E)-octadec-9-enoyl]amino]-2,3-bis(oxidanyl)propyl]-propyl-azanium

Systemtic Name: dimethyl-[1-[[(E)-octadec-9-enoyl]amino]-2,3-bis(oxidanyl)propyl]-propyl-azanium Openeye Name: [2,3-dihydroxy-1-[[(E)-octadec-9-enoyl]amino]propyl]-dimethyl-propyl-ammonium CAS Name: [2,3-dihydroxy-1-[[(E)-1-oxooctadec-9-enyl]amino]propyl]-dimethyl-propylammonium IUPAC Name: [2,3-dihydroxy-1-[[(E)-octadec-9-enoyl]amino]propyl]-dimethyl-propylazanium Traditional Name: [2,3-dihydroxy-1-[[(E)-octadec-9-enoyl]amino]propyl]-dimethyl-propyl-ammonium Formula: C26H53N2O3+ MolecularWeight: 441.71062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC(C(CO)O)[N+](C)(C)CCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC(C(CO)O)[N+](C)(C)CCC

InChI

InChI=1S/C26H52N2O3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(31)27-26(24(30)23-29)28(3,4)22-6-2/h13-14,24,26,29-30H,5-12,15-23H2,1-4H3/p+1/b14-13+