cyclohexyl-ethyl-methyl-[4-[3-(propylsulfonylamino)phenyl]butyl]azanium ethanoate

Systemtic Name: cyclohexyl-ethyl-methyl-[4-[3-(propylsulfonylamino)phenyl]butyl]azanium ethanoate Openeye Name: cyclohexyl-ethyl-methyl-[4-[3-(propylsulfonylamino)phenyl]butyl]ammonium acetate CAS Name: cyclohexyl-ethyl-methyl-[4-[3-(propylsulfonylamino)phenyl]butyl]ammonium acetate IUPAC Name: cyclohexyl-ethyl-methyl-[4-[3-(propylsulfonylamino)phenyl]butyl]azanium acetate Traditional Name: cyclohexyl-ethyl-methyl-[4-[3-(propylsulfonylamino)phenyl]butyl]ammonium acetate Formula: C24H42N2O4S MolecularWeight: 454.66628

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NC1=CC=CC(=C1)CCCC[N+](C)(CC)C2CCCCC2.CC(=O)[O-]

Isomeric SMILES

CCCS(=O)(=O)NC1=CC=CC(=C1)CCCC[N+](C)(CC)C2CCCCC2.CC(=O)[O-]

InChI

InChI=1S/C22H39N2O2S.C2H4O2/c1-4-18-27(25,26)23-21-14-11-13-20(19-21)12-9-10-17-24(3,5-2)22-15-7-6-8-16-22;1-2(3)4/h11,13-14,19,22-23H,4-10,12,15-18H2,1-3H3;1H3,(H,3,4)/q+1;/p-1