[4-(diethylamino)-2-(4-methoxyphenyl)sulfonyloxy-phenyl]methyl-(2-methylpropyl)azanium

Systemtic Name: [4-(diethylamino)-2-(4-methoxyphenyl)sulfonyloxy-phenyl]methyl-(2-methylpropyl)azanium Openeye Name: [4-(diethylamino)-2-(4-methoxyphenyl)sulfonyloxy-phenyl]methyl-isobutyl-ammonium CAS Name: [4-(diethylamino)-2-(4-methoxyphenyl)sulfonyloxyphenyl]methyl-(2-methylpropyl)ammonium IUPAC Name: [4-(diethylamino)-2-(4-methoxyphenyl)sulfonyloxyphenyl]methyl-(2-methylpropyl)azanium Traditional Name: [4-(diethylamino)-2-(4-methoxyphenyl)sulfonyloxy-benzyl]-isobutyl-ammonium Formula: C22H33N2O4S+ MolecularWeight: 421.57342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C[NH2+]CC(C)C)OS(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)C[NH2+]CC(C)C)OS(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C22H32N2O4S/c1-6-24(7-2)19-9-8-18(16-23-15-17(3)4)22(14-19)28-29(25,26)21-12-10-20(27-5)11-13-21/h8-14,17,23H,6-7,15-16H2,1-5H3/p+1