2-[4-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethanoyl]piperazin-1-ium-1-yl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[4-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethanoyl]piperazin-1-ium-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[4-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-ium-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[4-[2-[[1-(4-bromophenyl)-2-imidazolyl]thio]-1-oxoethyl]-1-piperazin-1-iumyl]-N-tert-butylacetamide IUPAC Name: 2-[4-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-ium-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-[2-[[1-(4-bromophenyl)imidazol-2-yl]thio]acetyl]piperazin-1-ium-1-yl]-N-tert-butyl-acetamide Formula: C21H29BrN5O2S+ MolecularWeight: 495.45626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=NC=CN2C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=NC=CN2C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H28BrN5O2S/c1-21(2,3)24-18(28)14-25-10-12-26(13-11-25)19(29)15-30-20-23-8-9-27(20)17-6-4-16(22)5-7-17/h4-9H,10-15H2,1-3H3,(H,24,28)/p+1