N-(1,3-benzodioxol-5-ylmethyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide Traditional Name: 2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)-N-piperonyl-acetamide Formula: C21H23N2O3+ MolecularWeight: 351.41892

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC=C1C2=CC=CC=C2)CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[NH+](CC=C1C2=CC=CC=C2)CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O3/c24-21(22-13-16-6-7-19-20(12-16)26-15-25-19)14-23-10-8-18(9-11-23)17-4-2-1-3-5-17/h1-8,12H,9-11,13-15H2,(H,22,24)/p+1