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

Systemtic Name: 1-cyclohexyl-4-[2,5-diethoxy-4-(1,2,3,4-tetrazol-1-yl)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-cyclohexyl-4-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-cyclohexyl-4-[2,5-diethoxy-4-(1-tetrazolyl)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-cyclohexyl-4-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-cyclohexyl-4-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]sulfonyl-piperazin-1-ium Formula: C21H33N6O4S+ MolecularWeight: 465.58952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2C=NN=N2)OCC)S(=O)(=O)N3CC[NH+](CC3)C4CCCCC4

Isomeric SMILES

CCOC1=CC(=C(C=C1N2C=NN=N2)OCC)S(=O)(=O)N3CC[NH+](CC3)C4CCCCC4

InChI

InChI=1S/C21H32N6O4S/c1-3-30-19-15-21(20(31-4-2)14-18(19)27-16-22-23-24-27)32(28,29)26-12-10-25(11-13-26)17-8-6-5-7-9-17/h14-17H,3-13H2,1-2H3/p+1