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

Systemtic Name: (5-bromanylthiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (5-bromo-2-thienyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (5-bromo-2-thiophenyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (5-bromothiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (5-bromo-2-thienyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C14H15BrN3OS+ MolecularWeight: 353.2574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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