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

Systemtic Name: [4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(1-methylpyrazol-4-yl)methanone Openeye Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(1-methylpyrazol-4-yl)methanone CAS Name: [4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-(1-methyl-4-pyrazolyl)methanone IUPAC Name: [4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(1-methylpyrazol-4-yl)methanone Traditional Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(1-methylpyrazol-4-yl)methanone Formula: C14H18BrN4OS+ MolecularWeight: 370.28792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

Isomeric SMILES

CN1C=C(C=N1)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

InChI

InChI=1S/C14H17BrN4OS/c1-17-9-11(8-16-17)14(20)19-6-4-18(5-7-19)10-12-2-3-13(15)21-12/h2-3,8-9H,4-7,10H2,1H3/p+1