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

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-6-(5-methylfuran-2-yl)pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(5-methyl-2-furyl)pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(5-methyl-2-furanyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(5-methylfuran-2-yl)pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(5-methyl-2-furyl)pyridin-1-ium-3-carbonitrile Formula: C18H14N3O3+ MolecularWeight: 320.32206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=[NH+]C(=C(C(=C2)C3=CC4=C(C=C3)OCO4)C#N)N

Isomeric SMILES

CC1=CC=C(O1)C2=[NH+]C(=C(C(=C2)C3=CC4=C(C=C3)OCO4)C#N)N

InChI

InChI=1S/C18H13N3O3/c1-10-2-4-15(24-10)14-7-12(13(8-19)18(20)21-14)11-3-5-16-17(6-11)23-9-22-16/h2-7H,9H2,1H3,(H2,20,21)/p+1