N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-benzylpyridin-1-ium-1-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-benzylpyridin-1-ium-1-yl)acetamide Traditional Name: 2-(4-benzylpyridin-1-ium-1-yl)-N-piperonyl-acetamide Formula: C22H21N2O3+ MolecularWeight: 361.41374

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C[N+]3=CC=C(C=C3)CC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C[N+]3=CC=C(C=C3)CC4=CC=CC=C4

InChI

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