[4,5-bis(bromanyl)thiophen-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [4,5-bis(bromanyl)thiophen-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (4,5-dibromo-2-thienyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (4,5-dibromo-2-thiophenyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (4,5-dibromothiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (4,5-dibromo-2-thienyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C14H14Br2N3OS+ MolecularWeight: 432.15346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC(=C(S3)Br)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC(=C(S3)Br)Br

InChI

InChI=1S/C14H13Br2N3OS/c15-10-9-11(21-13(10)16)14(20)19-7-5-18(6-8-19)12-3-1-2-4-17-12/h1-4,9H,5-8H2/p+1