2-[2-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide

Systemtic Name: 2-[2-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide Openeye Name: 2-[2-[4-(4-butoxyphenyl)thiazol-2-yl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide CAS Name: 2-[2-[4-(4-butoxyphenyl)-2-thiazolyl]-1-pyridin-1-iumyl]-1-phenylethanone bromide IUPAC Name: 2-[2-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]pyridin-1-ium-1-yl]-1-phenylethanone bromide Traditional Name: 2-[2-[4-(4-butoxyphenyl)thiazol-2-yl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide Formula: C26H25BrN2O2S MolecularWeight: 509.4579

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=CSC(=N2)C3=CC=CC=[N+]3CC(=O)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=CSC(=N2)C3=CC=CC=[N+]3CC(=O)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C26H25N2O2S.BrH/c1-2-3-17-30-22-14-12-20(13-15-22)23-19-31-26(27-23)24-11-7-8-16-28(24)18-25(29)21-9-5-4-6-10-21;/h4-16,19H,2-3,17-18H2,1H3;1H/q+1;/p-1