2-[3,3-dimethylbutanoyl-[(4-methoxy-3-propan-2-ylsulfonyloxy-phenyl)methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[3,3-dimethylbutanoyl-[(4-methoxy-3-propan-2-ylsulfonyloxy-phenyl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[3,3-dimethylbutanoyl-[(3-isopropylsulfonyloxy-4-methoxy-phenyl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(3,3-dimethyl-1-oxobutyl)-[(4-methoxy-3-propan-2-ylsulfonyloxyphenyl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[3,3-dimethylbutanoyl-[(4-methoxy-3-propan-2-ylsulfonyloxyphenyl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[3,3-dimethylbutanoyl-(3-isopropylsulfonyloxy-4-methoxy-benzyl)amino]ethyl-dimethyl-ammonium Formula: C21H37N2O5S+ MolecularWeight: 429.59388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=C(C=CC(=C1)CN(CC[NH+](C)C)C(=O)CC(C)(C)C)OC

Isomeric SMILES

CC(C)S(=O)(=O)OC1=C(C=CC(=C1)CN(CC[NH+](C)C)C(=O)CC(C)(C)C)OC

InChI

InChI=1S/C21H36N2O5S/c1-16(2)29(25,26)28-19-13-17(9-10-18(19)27-8)15-23(12-11-22(6)7)20(24)14-21(3,4)5/h9-10,13,16H,11-12,14-15H2,1-8H3/p+1