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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(dimethylamino)-1-pyridin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-piperonyl-acetamide Formula: C17H20N3O3+ MolecularWeight: 314.359

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)CC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)CC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H19N3O3/c1-19(2)14-5-7-20(8-6-14)11-17(21)18-10-13-3-4-15-16(9-13)23-12-22-15/h3-9H,10-12H2,1-2H3/p+1