N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-(phenylmethyl)pyridin-1-ium-4-carboxamide

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-(phenylmethyl)pyridin-1-ium-4-carboxamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-1-benzyl-pyridin-1-ium-4-carboxamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-(phenylmethyl)-4-pyridin-1-iumcarboxamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-benzylpyridin-1-ium-4-carboxamide Traditional Name: 1-benzyl-N-[(E)-piperonylideneamino]pyridin-1-ium-4-carboxamide Formula: C21H18N3O3+ MolecularWeight: 360.38592

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=CC=[N+](C=C3)CC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=N/NC(=O)C3=CC=[N+](C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H17N3O3/c25-21(23-22-13-17-6-7-19-20(12-17)27-15-26-19)18-8-10-24(11-9-18)14-16-4-2-1-3-5-16/h1-13H,14-15H2/p+1