N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-(2-hydroxyethyl)pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-(2-hydroxyethyl)pyridin-1-ium-3-carboxamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-1-(2-hydroxyethyl)pyridin-1-ium-3-carboxamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-(2-hydroxyethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-(2-hydroxyethyl)pyridin-1-ium-3-carboxamide Traditional Name: 1-(2-hydroxyethyl)-N-[(E)-piperonylideneamino]pyridin-1-ium-3-carboxamide Formula: C16H16N3O4+ MolecularWeight: 314.31594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=C[N+](=CC=C3)CCO

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=N/NC(=O)C3=C[N+](=CC=C3)CCO

InChI

InChI=1S/C16H15N3O4/c20-7-6-19-5-1-2-13(10-19)16(21)18-17-9-12-3-4-14-15(8-12)23-11-22-14/h1-5,8-10,20H,6-7,11H2/p+1/b17-9+