1-(3-phenyl-5-phenylazanyl-4-pyridin-1-ium-1-yl-thiophen-2-yl)ethanone bromide

Systemtic Name: 1-(3-phenyl-5-phenylazanyl-4-pyridin-1-ium-1-yl-thiophen-2-yl)ethanone bromide Openeye Name: 1-(5-anilino-3-phenyl-4-pyridin-1-ium-1-yl-2-thienyl)ethanone bromide CAS Name: 1-[5-anilino-3-phenyl-4-(1-pyridin-1-iumyl)-2-thiophenyl]ethanone bromide IUPAC Name: 1-(5-anilino-3-phenyl-4-pyridin-1-ium-1-ylthiophen-2-yl)ethanone bromide Traditional Name: 1-(5-anilino-3-phenyl-4-pyridin-1-ium-1-yl-2-thienyl)ethanone bromide Formula: C23H19BrN2OS MolecularWeight: 451.37876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=C(S1)NC2=CC=CC=C2)[N+]3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CC(=O)C1=C(C(=C(S1)NC2=CC=CC=C2)[N+]3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C23H18N2OS.BrH/c1-17(26)22-20(18-11-5-2-6-12-18)21(25-15-9-4-10-16-25)23(27-22)24-19-13-7-3-8-14-19;/h2-16H,1H3;1H