2,4,6-trimethyl-1-octadecyl-pyrimidin-1-ium

Systemtic Name: 2,4,6-trimethyl-1-octadecyl-pyrimidin-1-ium Openeye Name: 2,4,6-trimethyl-1-octadecyl-pyrimidin-1-ium CAS Name: 2,4,6-trimethyl-1-octadecylpyrimidin-1-ium IUPAC Name: 2,4,6-trimethyl-1-octadecylpyrimidin-1-ium Traditional Name: 2,4,6-trimethyl-1-stearyl-pyrimidin-1-ium Formula: C25H47N2+ MolecularWeight: 375.65408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=C(C=C(N=C1C)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=C(C=C(N=C1C)C)C

InChI

InChI=1S/C25H47N2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-24(3)22-23(2)26-25(27)4/h22H,5-21H2,1-4H3/q+1