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

Systemtic Name: [4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-pyridin-2-yl-methanone Openeye Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(2-pyridyl)methanone CAS Name: [4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-(2-pyridinyl)methanone IUPAC Name: [4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-pyridin-2-ylmethanone Traditional Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(2-pyridyl)methanone Formula: C15H17BrN3OS+ MolecularWeight: 367.28398

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)C3=CC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)C3=CC=CC=N3

InChI

InChI=1S/C15H16BrN3OS/c16-14-5-4-12(21-14)11-18-7-9-19(10-8-18)15(20)13-3-1-2-6-17-13/h1-6H,7-11H2/p+1