2-azanyl-4-(1,3-benzodioxol-5-yl)-6-propan-2-yloxy-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-6-propan-2-yloxy-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-isopropoxy-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-propan-2-yloxypyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-propan-2-yloxypyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-isopropoxy-pyridin-1-ium-3,5-dicarbonitrile Formula: C17H15N4O3+ MolecularWeight: 323.326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC3=C(C=C2)OCO3)C#N

Isomeric SMILES

CC(C)OC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC3=C(C=C2)OCO3)C#N

InChI

InChI=1S/C17H14N4O3/c1-9(2)24-17-12(7-19)15(11(6-18)16(20)21-17)10-3-4-13-14(5-10)23-8-22-13/h3-5,9H,8H2,1-2H3,(H2,20,21)/p+1