N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpyridin-1-ium-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpyridin-1-ium-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-(4-benzylpyridin-1-ium-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C22H21N2O3+ MolecularWeight: 361.41374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)C[N+]3=CC=C(C=C3)CC4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)C[N+]3=CC=C(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H20N2O3/c25-22(23-19-6-7-20-21(15-19)27-13-12-26-20)16-24-10-8-18(9-11-24)14-17-4-2-1-3-5-17/h1-11,15H,12-14,16H2/p+1