1-(1,3-benzodioxol-5-yl)-2-pyridin-1-ium-1-yl-ethanol

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-pyridin-1-ium-1-yl-ethanol Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-pyridin-1-ium-1-yl-ethanol CAS Name: 1-(1,3-benzodioxol-5-yl)-2-(1-pyridin-1-iumyl)ethanol IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-pyridin-1-ium-1-ylethanol Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-pyridin-1-ium-1-yl-ethanol Formula: C14H14NO3+ MolecularWeight: 244.26586

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C[N+]3=CC=CC=C3)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C[N+]3=CC=CC=C3)O

InChI

InChI=1S/C14H14NO3/c16-12(9-15-6-2-1-3-7-15)11-4-5-13-14(8-11)18-10-17-13/h1-8,12,16H,9-10H2/q+1