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

Systemtic Name: [2-[hexadecyl(octadecyl)amino]-2-oxidanylidene-ethyl]-dimethyl-prop-2-enyl-azanium Openeye Name: allyl-[2-[hexadecyl(octadecyl)amino]-2-oxo-ethyl]-dimethyl-ammonium CAS Name: [2-[hexadecyl(octadecyl)amino]-2-oxoethyl]-dimethyl-prop-2-enylammonium IUPAC Name: [2-[hexadecyl(octadecyl)amino]-2-oxoethyl]-dimethyl-prop-2-enylazanium Traditional Name: allyl-[2-[cetyl(stearyl)amino]-2-keto-ethyl]-dimethyl-ammonium Formula: C41H83N2O+ MolecularWeight: 620.11052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H83N2O/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/q+1