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

Systemtic Name: 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium Openeye Name: 1-[(5-ethyl-2-thienyl)sulfonyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium CAS Name: 1-[(5-ethyl-2-thiophenyl)sulfonyl]-4-[(1-phenyl-5-tetrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-(5-ethylthiophen-2-yl)sulfonyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium Traditional Name: 1-[(5-ethyl-2-thienyl)sulfonyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium Formula: C18H23N6O2S2+ MolecularWeight: 419.54422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)S(=O)(=O)N2CC[NH+](CC2)CC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(S1)S(=O)(=O)N2CC[NH+](CC2)CC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C18H22N6O2S2/c1-2-16-8-9-18(27-16)28(25,26)23-12-10-22(11-13-23)14-17-19-20-21-24(17)15-6-4-3-5-7-15/h3-9H,2,10-14H2,1H3/p+1