N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-phenacyl-pyridin-1-ium-4-carboxamide bromide

Systemtic Name: N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-phenacyl-pyridin-1-ium-4-carboxamide bromide Openeye Name: N-[(E)-(2,5-dimethoxyphenyl)methyleneamino]-1-phenacyl-pyridin-1-ium-4-carboxamide bromide CAS Name: N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-phenacyl-4-pyridin-1-iumcarboxamide bromide IUPAC Name: N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-phenacylpyridin-1-ium-4-carboxamide bromide Traditional Name: N-[(E)-(2,5-dimethoxybenzylidene)amino]-1-phenacyl-pyridin-1-ium-4-carboxamide bromide Formula: C23H22BrN3O4 MolecularWeight: 484.34248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C=NNC(=O)C2=CC=[N+](C=C2)CC(=O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)/C=N/NC(=O)C2=CC=[N+](C=C2)CC(=O)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C23H21N3O4.BrH/c1-29-20-8-9-22(30-2)19(14-20)15-24-25-23(28)18-10-12-26(13-11-18)16-21(27)17-6-4-3-5-7-17;/h3-15H,16H2,1-2H3;1H