4-butan-2-yl-1-octadecyl-pyridin-1-ium

Systemtic Name: 4-butan-2-yl-1-octadecyl-pyridin-1-ium Openeye Name: 1-octadecyl-4-sec-butyl-pyridin-1-ium CAS Name: 4-butan-2-yl-1-octadecylpyridin-1-ium IUPAC Name: 4-butan-2-yl-1-octadecylpyridin-1-ium Traditional Name: 4-sec-butyl-1-stearyl-pyridin-1-ium Formula: C27H50N+ MolecularWeight: 388.6926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C(C)CC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C(C)CC

InChI

InChI=1S/C27H50N/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-28-24-21-27(22-25-28)26(3)5-2/h21-22,24-26H,4-20,23H2,1-3H3/q+1