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

Systemtic Name: 1-(phenylmethyl)-4-[4-(1,2,3,4-tetrazol-1-yl)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-benzyl-4-[4-(tetrazol-1-yl)phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-(phenylmethyl)-4-[4-(1-tetrazolyl)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-benzyl-4-[4-(tetrazol-1-yl)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-[4-(tetrazol-1-yl)phenyl]sulfonyl-piperazin-1-ium Formula: C18H21N6O2S+ MolecularWeight: 385.46334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)N4C=NN=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)N4C=NN=N4

InChI

InChI=1S/C18H20N6O2S/c25-27(26,18-8-6-17(7-9-18)24-15-19-20-21-24)23-12-10-22(11-13-23)14-16-4-2-1-3-5-16/h1-9,15H,10-14H2/p+1