2-(1,3-benzodioxol-5-ylmethylamino)pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)pyridin-1-ium-3-carbonitrile Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)pyridin-1-ium-3-carbonitrile CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)pyridin-1-ium-3-carbonitrile Traditional Name: 2-(piperonylamino)pyridin-1-ium-3-carbonitrile Formula: C14H12N3O2+ MolecularWeight: 254.26398

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C=CC=[NH+]3)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C=CC=[NH+]3)C#N

InChI

InChI=1S/C14H11N3O2/c15-7-11-2-1-5-16-14(11)17-8-10-3-4-12-13(6-10)19-9-18-12/h1-6H,8-9H2,(H,16,17)/p+1