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

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethylphenyl)pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethylphenyl)pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethylphenyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethylphenyl)pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethylphenyl)pyridin-1-ium-3-carbonitrile Formula: C21H18N3O2+ MolecularWeight: 344.38652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=[NH+]C(=C(C(=C2)C3=CC4=C(C=C3)OCO4)C#N)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=[NH+]C(=C(C(=C2)C3=CC4=C(C=C3)OCO4)C#N)N

InChI

InChI=1S/C21H17N3O2/c1-12-3-4-13(2)15(7-12)18-9-16(17(10-22)21(23)24-18)14-5-6-19-20(8-14)26-11-25-19/h3-9H,11H2,1-2H3,(H2,23,24)/p+1