1-(1,3-benzodioxol-5-ylmethyl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)pyridin-1-ium-3-carbonitrile Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)pyridin-1-ium-3-carbonitrile CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)pyridin-1-ium-3-carbonitrile Traditional Name: 1-piperonylpyridin-1-ium-3-carbonitrile Formula: C14H11N2O2+ MolecularWeight: 239.24934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N2O2/c15-7-12-2-1-5-16(9-12)8-11-3-4-13-14(6-11)18-10-17-13/h1-6,9H,8,10H2/q+1