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

Systemtic Name: [4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(4-methyl-1,2,3-thiadiazol-5-yl)methanone Openeye Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(4-methylthiadiazol-5-yl)methanone CAS Name: [4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-(4-methyl-5-thiadiazolyl)methanone IUPAC Name: [4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(4-methylthiadiazol-5-yl)methanone Traditional Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(4-methylthiadiazol-5-yl)methanone Formula: C13H16BrN4OS2+ MolecularWeight: 388.32634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN=N1)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

Isomeric SMILES

CC1=C(SN=N1)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

InChI

InChI=1S/C13H15BrN4OS2/c1-9-12(21-16-15-9)13(19)18-6-4-17(5-7-18)8-10-2-3-11(14)20-10/h2-3H,4-8H2,1H3/p+1