N-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-1-oxidanidyl-pyridin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-1-oxidanidyl-pyridin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-1-oxido-pyridin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-1-oxido-4-pyridin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-1-oxidopyridin-1-ium-4-carboxamide Traditional Name: 3,5-dimethyl-1-oxido-N-piperonyl-pyridin-1-ium-4-carboxamide Formula: C16H16N2O4 MolecularWeight: 300.30924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC(=C1C(=O)NCC2=CC3=C(C=C2)OCO3)C)[O-]

Isomeric SMILES

CC1=C[N+](=CC(=C1C(=O)NCC2=CC3=C(C=C2)OCO3)C)[O-]

InChI

InChI=1S/C16H16N2O4/c1-10-7-18(20)8-11(2)15(10)16(19)17-6-12-3-4-13-14(5-12)22-9-21-13/h3-5,7-8H,6,9H2,1-2H3,(H,17,19)