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

Systemtic Name: 4-[(5-bromanylthiophen-2-yl)methyl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[(5-bromo-2-thienyl)methyl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[(5-bromo-2-thiophenyl)methyl]-N-[2-[4-(1-pyrazolyl)phenyl]ethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(5-bromothiophen-2-yl)methyl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[(5-bromo-2-thienyl)methyl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]piperazin-4-ium-1-carboxamide Formula: C21H25BrN5OS+ MolecularWeight: 475.4251

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)NCCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)NCCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H24BrN5OS/c22-20-7-6-19(29-20)16-25-12-14-26(15-13-25)21(28)23-10-8-17-2-4-18(5-3-17)27-11-1-9-24-27/h1-7,9,11H,8,10,12-16H2,(H,23,28)/p+1