2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide

Systemtic Name: 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide CAS Name: 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]thio]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]acetamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]thio]acetamide Formula: C23H26BrN4OS+ MolecularWeight: 486.44774

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CSC2=NC=C(N2)C3=CC=C(C=C3)Br)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CSC2=NC=C(N2)C3=CC=C(C=C3)Br)CC4=CC=CC=C4

InChI

InChI=1S/C23H25BrN4OS/c24-19-8-6-18(7-9-19)21-14-25-23(27-21)30-16-22(29)26-20-10-12-28(13-11-20)15-17-4-2-1-3-5-17/h1-9,14,20H,10-13,15-16H2,(H,25,27)(H,26,29)/p+1