4-[2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl]benzene-1,2-diol

Systemtic Name: 4-[2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl]benzene-1,2-diol Openeye Name: 4-[2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl]benzene-1,2-diol CAS Name: 4-[2-(2,4,6-trimethyl-1-pyridin-1-iumyl)ethyl]benzene-1,2-diol IUPAC Name: 4-[2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl]benzene-1,2-diol Traditional Name: 4-[2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl]pyrocatechol Formula: C16H20NO2+ MolecularWeight: 258.3355

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1)C)CCC2=CC(=C(C=C2)O)O)C

Isomeric SMILES

CC1=CC(=[N+](C(=C1)C)CCC2=CC(=C(C=C2)O)O)C

InChI

InChI=1S/C16H19NO2/c1-11-8-12(2)17(13(3)9-11)7-6-14-4-5-15(18)16(19)10-14/h4-5,8-10H,6-7H2,1-3H3,(H-,18,19)/p+1