1-(5-bromanylthiophen-2-yl)sulfonyl-4-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(5-bromanylthiophen-2-yl)sulfonyl-4-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium Openeye Name: 1-[(5-bromo-2-thienyl)sulfonyl]-4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-4-ium CAS Name: 1-[(5-bromo-2-thiophenyl)sulfonyl]-4-[(1-cyclopropyl-5-tetrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-(5-bromothiophen-2-yl)sulfonyl-4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-4-ium Traditional Name: 1-[(5-bromo-2-thienyl)sulfonyl]-4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-4-ium Formula: C13H18BrN6O2S2+ MolecularWeight: 434.35502

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Br

Isomeric SMILES

C1CC1N2C(=NN=N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C13H17BrN6O2S2/c14-11-3-4-13(23-11)24(21,22)19-7-5-18(6-8-19)9-12-15-16-17-20(12)10-1-2-10/h3-4,10H,1-2,5-9H2/p+1