[(E)-6-azanyl-5-methyl-6-oxidanylidene-hex-4-en-3-yl]-hexadecyl-dimethyl-azanium

Systemtic Name: [(E)-6-azanyl-5-methyl-6-oxidanylidene-hex-4-en-3-yl]-hexadecyl-dimethyl-azanium Openeye Name: [(E)-4-amino-1-ethyl-3-methyl-4-oxo-but-2-enyl]-hexadecyl-dimethyl-ammonium CAS Name: [(E)-6-amino-5-methyl-6-oxohex-4-en-3-yl]-hexadecyl-dimethylammonium IUPAC Name: [(E)-6-amino-5-methyl-6-oxohex-4-en-3-yl]-hexadecyl-dimethylazanium Traditional Name: [(E)-4-amino-1-ethyl-4-keto-3-methyl-but-2-enyl]-cetyl-dimethyl-ammonium Formula: C25H51N2O+ MolecularWeight: 395.68524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C(CC)/C=C(\C)/C(=O)N

InChI

InChI=1S/C25H50N2O/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(4,5)24(7-2)22-23(3)25(26)28/h22,24H,6-21H2,1-5H3,(H-,26,28)/p+1/b23-22+