2-[dimethyl-[(E)-tricos-14-enyl]azaniumyl]-2-methyl-propanoate

Systemtic Name: 2-[dimethyl-[(E)-tricos-14-enyl]azaniumyl]-2-methyl-propanoate Openeye Name: 2-[dimethyl-[(E)-tricos-14-enyl]ammonio]-2-methyl-propanoate CAS Name: 2-[dimethyl-[(E)-tricos-14-enyl]ammonio]-2-methylpropanoate IUPAC Name: 2-[dimethyl-[(E)-tricos-14-enyl]azaniumyl]-2-methylpropanoate Traditional Name: 2-[dimethyl-[(E)-tricos-14-enyl]ammonio]-2-methyl-propionate Formula: C29H57NO2 MolecularWeight: 451.76838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H57NO2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30(4,5)29(2,3)28(31)32/h13-14H,6-12,15-27H2,1-5H3/b14-13+