diethyl-heptyl-[4-[4-(phenylsulfonylamino)phenyl]butyl]azanium chloride

Systemtic Name: diethyl-heptyl-[4-[4-(phenylsulfonylamino)phenyl]butyl]azanium chloride Openeye Name: 4-[4-(benzenesulfonamido)phenyl]butyl-diethyl-heptyl-ammonium chloride CAS Name: 4-[4-(benzenesulfonamido)phenyl]butyl-diethyl-heptylammonium chloride IUPAC Name: 4-[4-(benzenesulfonamido)phenyl]butyl-diethyl-heptylazanium chloride Traditional Name: 4-[4-(benzenesulfonamido)phenyl]butyl-diethyl-heptyl-ammonium chloride Formula: C27H43ClN2O2S MolecularWeight: 495.16052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+](CC)(CC)CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCCCCCC[N+](CC)(CC)CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C27H43N2O2S.ClH/c1-4-7-8-9-14-23-29(5-2,6-3)24-15-13-16-25-19-21-26(22-20-25)28-32(30,31)27-17-11-10-12-18-27;/h10-12,17-22,28H,4-9,13-16,23-24H2,1-3H3;1H/q+1;/p-1