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

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-(2-hydroxyethyl)pyridin-1-ium-3-carboxamide chloride Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-1-(2-hydroxyethyl)pyridin-1-ium-3-carboxamide chloride CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-(2-hydroxyethyl)-3-pyridin-1-iumcarboxamide chloride IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-(2-hydroxyethyl)pyridin-1-ium-3-carboxamide chloride Traditional Name: 1-(2-hydroxyethyl)-N-[(E)-piperonylideneamino]pyridin-1-ium-3-carboxamide chloride Formula: C16H16ClN3O4 MolecularWeight: 349.76894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O4.ClH/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;1H/b17-9+;