5-methyl-1-pyridin-1-ium-1-yl-hexadecane-2,4-diol

Systemtic Name: 5-methyl-1-pyridin-1-ium-1-yl-hexadecane-2,4-diol Openeye Name: 5-methyl-1-pyridin-1-ium-1-yl-hexadecane-2,4-diol CAS Name: 5-methyl-1-(1-pyridin-1-iumyl)hexadecane-2,4-diol IUPAC Name: 5-methyl-1-pyridin-1-ium-1-ylhexadecane-2,4-diol Traditional Name: 5-methyl-1-pyridin-1-ium-1-yl-hexadecane-2,4-diol Formula: C22H40NO2+ MolecularWeight: 350.5585

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H40NO2/c1-3-4-5-6-7-8-9-10-12-15-20(2)22(25)18-21(24)19-23-16-13-11-14-17-23/h11,13-14,16-17,20-22,24-25H,3-10,12,15,18-19H2,1-2H3/q+1