morpholin-4-yl-(1-octadecylpyridin-1-ium-3-yl)methanone

Systemtic Name: morpholin-4-yl-(1-octadecylpyridin-1-ium-3-yl)methanone Openeye Name: morpholino-(1-octadecylpyridin-1-ium-3-yl)methanone CAS Name: 4-morpholinyl-(1-octadecyl-3-pyridin-1-iumyl)methanone IUPAC Name: morpholin-4-yl-(1-octadecylpyridin-1-ium-3-yl)methanone Traditional Name: morpholino-(1-stearylpyridin-1-ium-3-yl)methanone Formula: C28H49N2O2+ MolecularWeight: 445.70086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1)C(=O)N2CCOCC2

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1)C(=O)N2CCOCC2

InChI

InChI=1S/C28H49N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29-21-18-19-27(26-29)28(31)30-22-24-32-25-23-30/h18-19,21,26H,2-17,20,22-25H2,1H3/q+1