3-(1-methylpyridin-1-ium-4-yl)oxypropane-1,2-diol

Systemtic Name: 3-(1-methylpyridin-1-ium-4-yl)oxypropane-1,2-diol Openeye Name: 3-(1-methylpyridin-1-ium-4-yl)oxypropane-1,2-diol CAS Name: 3-[(1-methyl-4-pyridin-1-iumyl)oxy]propane-1,2-diol IUPAC Name: 3-(1-methylpyridin-1-ium-4-yl)oxypropane-1,2-diol Traditional Name: 3-(1-methylpyridin-1-ium-4-yl)oxypropane-1,2-diol Formula: C9H14NO3+ MolecularWeight: 184.21236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14NO3/c1-10-4-2-9(3-5-10)13-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3/q+1