N-(benzimidazol-1-yl)-4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(benzimidazol-1-yl)-4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(benzimidazol-1-yl)-4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(1-benzimidazolyl)-4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(benzimidazol-1-yl)-4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(benzimidazol-1-yl)-4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-carboxamide Formula: C17H19BrN5OS+ MolecularWeight: 421.33466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)NN3C=NC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)NN3C=NC4=CC=CC=C43

InChI

InChI=1S/C17H18BrN5OS/c18-16-6-5-13(25-16)11-21-7-9-22(10-8-21)17(24)20-23-12-19-14-3-1-2-4-15(14)23/h1-6,12H,7-11H2,(H,20,24)/p+1