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

Systemtic Name: 4-[(5-bromanylthiophen-2-yl)methyl]-N-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[(5-bromo-2-thienyl)methyl]-N-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[(5-bromo-2-thiophenyl)methyl]-N-[(1-phenyl-4-pyrazolyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(5-bromothiophen-2-yl)methyl]-N-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[(5-bromo-2-thienyl)methyl]-N-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-1-carboxamide Formula: C20H23BrN5OS+ MolecularWeight: 461.39852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)NCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)NCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H22BrN5OS/c21-19-7-6-18(28-19)15-24-8-10-25(11-9-24)20(27)22-12-16-13-23-26(14-16)17-4-2-1-3-5-17/h1-7,13-14H,8-12,15H2,(H,22,27)/p+1