2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-quinolin-5-yl-ethanamide

Systemtic Name: 2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-quinolin-5-yl-ethanamide Openeye Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazin-1-ium-1-yl]-N-(5-quinolyl)acetamide CAS Name: 2-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-1-iumyl]-N-(5-quinolinyl)acetamide IUPAC Name: 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-quinolin-5-ylacetamide Traditional Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazin-1-ium-1-yl]-N-(5-quinolyl)acetamide Formula: C20H22BrN4OS+ MolecularWeight: 446.38388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC3=C2C=CC=N3)CC4=CC=C(S4)Br

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC3=C2C=CC=N3)CC4=CC=C(S4)Br

InChI

InChI=1S/C20H21BrN4OS/c21-19-7-6-15(27-19)13-24-9-11-25(12-10-24)14-20(26)23-18-5-1-4-17-16(18)3-2-8-22-17/h1-8H,9-14H2,(H,23,26)/p+1