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

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-phenacyl-pyridin-1-ium-4-carboxamide bromide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-1-phenacyl-pyridin-1-ium-4-carboxamide bromide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-phenacyl-4-pyridin-1-iumcarboxamide bromide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-phenacylpyridin-1-ium-4-carboxamide bromide Traditional Name: 1-phenacyl-N-[(E)-piperonylideneamino]pyridin-1-ium-4-carboxamide bromide Formula: C22H18BrN3O4 MolecularWeight: 468.30002

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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)CC(=O)C4=CC=CC=C4.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O4.BrH/c26-19(17-4-2-1-3-5-17)14-25-10-8-18(9-11-25)22(27)24-23-13-16-6-7-20-21(12-16)29-15-28-20;/h1-13H,14-15H2;1H