(4-bromanylthiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (4-bromanylthiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (4-bromo-2-thienyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (4-bromo-2-thiophenyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (4-bromothiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (4-bromo-2-thienyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C14H15BrN3OS+ MolecularWeight: 353.2574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC(=CS3)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC(=CS3)Br

InChI

InChI=1S/C14H14BrN3OS/c15-11-9-12(20-10-11)14(19)18-7-5-17(6-8-18)13-3-1-2-4-16-13/h1-4,9-10H,5-8H2/p+1