dimethyl-(4-methyl-3-oxidanylidene-pent-4-en-2-yl)-octadecyl-azanium

Systemtic Name: dimethyl-(4-methyl-3-oxidanylidene-pent-4-en-2-yl)-octadecyl-azanium Openeye Name: (1,3-dimethyl-2-oxo-but-3-enyl)-dimethyl-octadecyl-ammonium CAS Name: dimethyl-(4-methyl-3-oxopent-4-en-2-yl)-octadecylammonium IUPAC Name: dimethyl-(4-methyl-3-oxopent-4-en-2-yl)-octadecylazanium Traditional Name: (2-keto-1,3-dimethyl-but-3-enyl)-dimethyl-stearyl-ammonium Formula: C26H52NO+ MolecularWeight: 394.69718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)C(C)C(=O)C(=C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)C(C)C(=O)C(=C)C

InChI

InChI=1S/C26H52NO/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(5,6)25(4)26(28)24(2)3/h25H,2,7-23H2,1,3-6H3/q+1