2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4,6-dimethyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4,6-dimethyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4,6-dimethyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4,6-dimethylpyridin-1-ium-3-carbonitrile Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Formula: C16H16N3O2+ MolecularWeight: 282.31714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C#N)NC2=CC3=C(C=C2)OCCO3)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C#N)NC2=CC3=C(C=C2)OCCO3)C

InChI

InChI=1S/C16H15N3O2/c1-10-7-11(2)18-16(13(10)9-17)19-12-3-4-14-15(8-12)21-6-5-20-14/h3-4,7-8H,5-6H2,1-2H3,(H,18,19)/p+1