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

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-6-(4-methylphenyl)pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(p-tolyl)pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-methylphenyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-methylphenyl)pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(p-tolyl)pyridin-1-ium-3-carbonitrile Formula: C20H16N3O2+ MolecularWeight: 330.35994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O2/c1-12-2-4-13(5-3-12)17-9-15(16(10-21)20(22)23-17)14-6-7-18-19(8-14)25-11-24-18/h2-9H,11H2,1H3,(H2,22,23)/p+1