1-phenacyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]pyridin-1-ium-3-carboxamide bromide

Systemtic Name: 1-phenacyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]pyridin-1-ium-3-carboxamide bromide Openeye Name: N-[(E)-(4-benzyloxyphenyl)methyleneamino]-1-phenacyl-pyridin-1-ium-3-carboxamide bromide CAS Name: 1-phenacyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]-3-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-phenacyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]pyridin-1-ium-3-carboxamide bromide Traditional Name: N-[(E)-(4-benzoxybenzylidene)amino]-1-phenacyl-pyridin-1-ium-3-carboxamide bromide Formula: C28H24BrN3O3 MolecularWeight: 530.41246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C=NNC(=O)C3=C[N+](=CC=C3)CC(=O)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=N/NC(=O)C3=C[N+](=CC=C3)CC(=O)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C28H23N3O3.BrH/c32-27(24-10-5-2-6-11-24)20-31-17-7-12-25(19-31)28(33)30-29-18-22-13-15-26(16-14-22)34-21-23-8-3-1-4-9-23;/h1-19H,20-21H2;1H/b29-18+;