2-[dimethyl-[2-[[(E)-octadec-9-enoyl]amino]butyl]azaniumyl]-2-methyl-propanoate

Systemtic Name: 2-[dimethyl-[2-[[(E)-octadec-9-enoyl]amino]butyl]azaniumyl]-2-methyl-propanoate Openeye Name: 2-[dimethyl-[2-[[(E)-octadec-9-enoyl]amino]butyl]ammonio]-2-methyl-propanoate CAS Name: 2-[dimethyl-[2-[[(E)-1-oxooctadec-9-enyl]amino]butyl]ammonio]-2-methylpropanoate IUPAC Name: 2-[dimethyl-[2-[[(E)-octadec-9-enoyl]amino]butyl]azaniumyl]-2-methylpropanoate Traditional Name: 2-[dimethyl-[2-[[(E)-octadec-9-enoyl]amino]butyl]ammonio]-2-methyl-propionate Formula: C28H54N2O3 MolecularWeight: 466.73996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H54N2O3/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(31)29-25(8-2)24-30(5,6)28(3,4)27(32)33/h15-16,25H,7-14,17-24H2,1-6H3,(H-,29,31,32,33)/b16-15+