[2-[hexadecyl(octadecyl)amino]-2-oxidanylidene-ethyl]-dimethyl-prop-2-enyl-azanium chloride

Systemtic Name: [2-[hexadecyl(octadecyl)amino]-2-oxidanylidene-ethyl]-dimethyl-prop-2-enyl-azanium chloride Openeye Name: allyl-[2-[hexadecyl(octadecyl)amino]-2-oxo-ethyl]-dimethyl-ammonium chloride CAS Name: [2-[hexadecyl(octadecyl)amino]-2-oxoethyl]-dimethyl-prop-2-enylammonium chloride IUPAC Name: [2-[hexadecyl(octadecyl)amino]-2-oxoethyl]-dimethyl-prop-2-enylazanium chloride Traditional Name: allyl-[2-[cetyl(stearyl)amino]-2-keto-ethyl]-dimethyl-ammonium chloride Formula: C41H83ClN2O MolecularWeight: 655.56352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)C(=O)C[N+](C)(C)CC=C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)C(=O)C[N+](C)(C)CC=C.[Cl-]

InChI

InChI=1S/C41H83N2O.ClH/c1-6-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-42(41(44)40-43(4,5)39-8-3)37-35-33-31-29-27-25-22-20-18-16-14-12-10-7-2;/h8H,3,6-7,9-40H2,1-2,4-5H3;1H/q+1;/p-1