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

Systemtic Name: 1-(3-fluorophenyl)sulfonyl-4-[(1-propyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium Openeye Name: 1-(3-fluorophenyl)sulfonyl-4-[(1-propyltetrazol-5-yl)methyl]piperazin-4-ium CAS Name: 1-(3-fluorophenyl)sulfonyl-4-[(1-propyl-5-tetrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-(3-fluorophenyl)sulfonyl-4-[(1-propyltetrazol-5-yl)methyl]piperazin-4-ium Traditional Name: 1-(3-fluorophenyl)sulfonyl-4-[(1-propyltetrazol-5-yl)methyl]piperazin-4-ium Formula: C15H22FN6O2S+ MolecularWeight: 369.437583

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CCCN1C(=NN=N1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C15H21FN6O2S/c1-2-6-22-15(17-18-19-22)12-20-7-9-21(10-8-20)25(23,24)14-5-3-4-13(16)11-14/h3-5,11H,2,6-10,12H2,1H3/p+1