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

Systemtic Name: 2-[2-[4-(4-butylphenyl)-1,3-thiazol-2-yl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide Openeye Name: 2-[2-[4-(4-butylphenyl)thiazol-2-yl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide CAS Name: 2-[2-[4-(4-butylphenyl)-2-thiazolyl]-1-pyridin-1-iumyl]-1-phenylethanone bromide IUPAC Name: 2-[2-[4-(4-butylphenyl)-1,3-thiazol-2-yl]pyridin-1-ium-1-yl]-1-phenylethanone bromide Traditional Name: 2-[2-[4-(4-butylphenyl)thiazol-2-yl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide Formula: C26H25BrN2OS MolecularWeight: 493.4585

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CSC(=N2)C3=CC=CC=[N+]3CC(=O)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CSC(=N2)C3=CC=CC=[N+]3CC(=O)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C26H25N2OS.BrH/c1-2-3-9-20-13-15-21(16-14-20)23-19-30-26(27-23)24-12-7-8-17-28(24)18-25(29)22-10-5-4-6-11-22;/h4-8,10-17,19H,2-3,9,18H2,1H3;1H/q+1;/p-1