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

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-ethyl-pyridin-1-ium-3-carboxamide iodide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-1-ethyl-pyridin-1-ium-3-carboxamide iodide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-ethyl-3-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-ethylpyridin-1-ium-3-carboxamide iodide Traditional Name: 1-ethyl-N-[(E)-piperonylideneamino]pyridin-1-ium-3-carboxamide iodide Formula: C16H16IN3O3 MolecularWeight: 425.22101

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=CC(=C1)C(=O)NN=CC2=CC3=C(C=C2)OCO3.[I-]

Isomeric SMILES

CC[N+]1=CC=CC(=C1)C(=O)N/N=C/C2=CC3=C(C=C2)OCO3.[I-]

InChI

InChI=1S/C16H15N3O3.HI/c1-2-19-7-3-4-13(10-19)16(20)18-17-9-12-5-6-14-15(8-12)22-11-21-14;/h3-10H,2,11H2,1H3;1H/b17-9+;