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

Systemtic Name: 1-cyclohexyl-4-[3-methyl-4-(1,2,3,4-tetrazol-1-yl)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-cyclohexyl-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-cyclohexyl-4-[3-methyl-4-(1-tetrazolyl)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-cyclohexyl-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-cyclohexyl-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-piperazin-1-ium Formula: C18H27N6O2S+ MolecularWeight: 391.51098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)C3CCCCC3)N4C=NN=N4

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)C3CCCCC3)N4C=NN=N4

InChI

InChI=1S/C18H26N6O2S/c1-15-13-17(7-8-18(15)24-14-19-20-21-24)27(25,26)23-11-9-22(10-12-23)16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12H2,1H3/p+1