[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-quinolin-8-yl-methanone

Systemtic Name: [4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-quinolin-8-yl-methanone Openeye Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(8-quinolyl)methanone CAS Name: [4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-(8-quinolinyl)methanone IUPAC Name: [4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-quinolin-8-ylmethanone Traditional Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(8-quinolyl)methanone Formula: C19H19BrN3OS+ MolecularWeight: 417.34266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C19H18BrN3OS/c20-17-7-6-15(25-17)13-22-9-11-23(12-10-22)19(24)16-5-1-3-14-4-2-8-21-18(14)16/h1-8H,9-13H2/p+1