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

Systemtic Name: 2-[dimethyl-[[[(E)-octadec-9-enoyl]amino]methyl]azaniumyl]-2-methyl-propanoate Openeye Name: 2-[dimethyl-[[[(E)-octadec-9-enoyl]amino]methyl]ammonio]-2-methyl-propanoate CAS Name: 2-[dimethyl-[[[(E)-1-oxooctadec-9-enyl]amino]methyl]ammonio]-2-methylpropanoate IUPAC Name: 2-[dimethyl-[[[(E)-octadec-9-enoyl]amino]methyl]azaniumyl]-2-methylpropanoate Traditional Name: 2-[dimethyl-[[[(E)-octadec-9-enoyl]amino]methyl]ammonio]-2-methyl-propionate Formula: C25H48N2O3 MolecularWeight: 424.66022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H48N2O3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(28)26-22-27(4,5)25(2,3)24(29)30/h13-14H,6-12,15-22H2,1-5H3,(H-,26,28,29,30)/b14-13+