[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(6-chloranylpyridin-3-yl)methanone

Systemtic Name: [4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(6-chloranylpyridin-3-yl)methanone Openeye Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(6-chloro-3-pyridyl)methanone CAS Name: [4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-(6-chloro-3-pyridinyl)methanone IUPAC Name: [4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(6-chloropyridin-3-yl)methanone Traditional Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(6-chloro-3-pyridyl)methanone Formula: C15H16BrClN3OS+ MolecularWeight: 401.72904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15BrClN3OS/c16-13-3-2-12(22-13)10-19-5-7-20(8-6-19)15(21)11-1-4-14(17)18-9-11/h1-4,9H,5-8,10H2/p+1