2-cyano-3-(4-phenylmethoxyphenyl)-N-pyridin-1-ium-3-yl-prop-2-enamide

Systemtic Name: 2-cyano-3-(4-phenylmethoxyphenyl)-N-pyridin-1-ium-3-yl-prop-2-enamide Openeye Name: 3-(4-benzyloxyphenyl)-2-cyano-N-pyridin-1-ium-3-yl-prop-2-enamide CAS Name: 2-cyano-3-(4-phenylmethoxyphenyl)-N-(3-pyridin-1-iumyl)-2-propenamide IUPAC Name: 2-cyano-3-(4-phenylmethoxyphenyl)-N-pyridin-1-ium-3-ylprop-2-enamide Traditional Name: 3-(4-benzoxyphenyl)-2-cyano-N-pyridin-1-ium-3-yl-acrylamide Formula: C22H18N3O2+ MolecularWeight: 356.39722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=C[NH+]=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=C[NH+]=CC=C3

InChI

InChI=1S/C22H17N3O2/c23-14-19(22(26)25-20-7-4-12-24-15-20)13-17-8-10-21(11-9-17)27-16-18-5-2-1-3-6-18/h1-13,15H,16H2,(H,25,26)/p+1