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

Systemtic Name: N-[(E)-(4-bromophenyl)methylideneamino]-1-phenacyl-pyridin-1-ium-3-carboxamide bromide Openeye Name: N-[(E)-(4-bromophenyl)methyleneamino]-1-phenacyl-pyridin-1-ium-3-carboxamide bromide CAS Name: N-[(E)-(4-bromophenyl)methylideneamino]-1-phenacyl-3-pyridin-1-iumcarboxamide bromide IUPAC Name: N-[(E)-(4-bromophenyl)methylideneamino]-1-phenacylpyridin-1-ium-3-carboxamide bromide Traditional Name: N-[(E)-(4-bromobenzylidene)amino]-1-phenacyl-pyridin-1-ium-3-carboxamide bromide Formula: C21H17Br2N3O2 MolecularWeight: 503.18658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)C(=O)NN=CC3=CC=C(C=C3)Br.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)C(=O)N/N=C/C3=CC=C(C=C3)Br.[Br-]

InChI

InChI=1S/C21H16BrN3O2.BrH/c22-19-10-8-16(9-11-19)13-23-24-21(27)18-7-4-12-25(14-18)15-20(26)17-5-2-1-3-6-17;/h1-14H,15H2;1H/b23-13+;