1-(5-bromanylthiophen-2-yl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-(5-bromanylthiophen-2-yl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-[(5-bromo-2-thienyl)sulfonyl]-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-[(5-bromo-2-thiophenyl)sulfonyl]-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-(5-bromothiophen-2-yl)sulfonyl-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-[(5-bromo-2-thienyl)sulfonyl]-4-pyridin-1-ium-2-yl-piperazine Formula: C13H15BrN3O2S2+ MolecularWeight: 389.3111

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrN3O2S2/c14-11-4-5-13(20-11)21(18,19)17-9-7-16(8-10-17)12-3-1-2-6-15-12/h1-6H,7-10H2/p+1