3-(1,3-benzodioxol-5-yl)-N-(pyridin-1-ium-4-ylmethyl)prop-2-enamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-(pyridin-1-ium-4-ylmethyl)prop-2-enamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-(pyridin-1-ium-4-ylmethyl)prop-2-enamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-(4-pyridin-1-iumylmethyl)-2-propenamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-(pyridin-1-ium-4-ylmethyl)prop-2-enamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-(pyridin-1-ium-4-ylmethyl)acrylamide Formula: C16H15N2O3+ MolecularWeight: 283.3019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)NCC3=CC=[NH+]C=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C=CC(=O)NCC3=CC=[NH+]C=C3

InChI

InChI=1S/C16H14N2O3/c19-16(18-10-13-5-7-17-8-6-13)4-2-12-1-3-14-15(9-12)21-11-20-14/h1-9H,10-11H2,(H,18,19)/p+1