2-[dodecyl-(2-hydroxyethyl)-(2-methyl-1-phenyl-prop-2-enyl)azaniumyl]ethanoate

Systemtic Name: 2-[dodecyl-(2-hydroxyethyl)-(2-methyl-1-phenyl-prop-2-enyl)azaniumyl]ethanoate Openeye Name: 2-[dodecyl-(2-hydroxyethyl)-(2-methyl-1-phenyl-allyl)ammonio]acetate CAS Name: 2-[dodecyl-(2-hydroxyethyl)-(2-methyl-1-phenylprop-2-enyl)ammonio]acetate IUPAC Name: 2-[dodecyl-(2-hydroxyethyl)-(2-methyl-1-phenylprop-2-enyl)azaniumyl]acetate Traditional Name: 2-[2-hydroxyethyl-lauryl-(2-methyl-1-phenyl-allyl)ammonio]acetate Formula: C26H43NO3 MolecularWeight: 417.62452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](CCO)(CC(=O)[O-])C(C1=CC=CC=C1)C(=C)C

Isomeric SMILES

CCCCCCCCCCCC[N+](CCO)(CC(=O)[O-])C(C1=CC=CC=C1)C(=C)C

InChI

InChI=1S/C26H43NO3/c1-4-5-6-7-8-9-10-11-12-16-19-27(20-21-28,22-25(29)30)26(23(2)3)24-17-14-13-15-18-24/h13-15,17-18,26,28H,2,4-12,16,19-22H2,1,3H3