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

Systemtic Name: [4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-quinolin-2-yl-methanone Openeye Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(2-quinolyl)methanone CAS Name: [4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-(2-quinolinyl)methanone IUPAC Name: [4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-quinolin-2-ylmethanone Traditional Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(2-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=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)C3=NC4=CC=CC=C4C=C3

InChI

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