2-azanyl-4-(1,3-benzodioxol-5-yl)-5,6-dimethyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-5,6-dimethyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-5,6-dimethyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-5,6-dimethyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-5,6-dimethylpyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-5,6-dimethyl-pyridin-1-ium-3-carbonitrile Formula: C15H14N3O2+ MolecularWeight: 268.29056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+]=C(C(=C1C2=CC3=C(C=C2)OCO3)C#N)N)C

Isomeric SMILES

CC1=C([NH+]=C(C(=C1C2=CC3=C(C=C2)OCO3)C#N)N)C

InChI

InChI=1S/C15H13N3O2/c1-8-9(2)18-15(17)11(6-16)14(8)10-3-4-12-13(5-10)20-7-19-12/h3-5H,7H2,1-2H3,(H2,17,18)/p+1