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

Systemtic Name: 2-[(4-methoxy-3-propan-2-ylsulfonyloxy-phenyl)methyl-(3-methylbutanoyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-isopropylsulfonyloxy-4-methoxy-phenyl)methyl-(3-methylbutanoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4-methoxy-3-propan-2-ylsulfonyloxyphenyl)methyl-(3-methyl-1-oxobutyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-methoxy-3-propan-2-ylsulfonyloxyphenyl)methyl-(3-methylbutanoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(3-isopropylsulfonyloxy-4-methoxy-benzyl)-isovaleryl-amino]ethyl-dimethyl-ammonium Formula: C20H35N2O5S+ MolecularWeight: 415.5673

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N(CC[NH+](C)C)CC1=CC(=C(C=C1)OC)OS(=O)(=O)C(C)C

Isomeric SMILES

CC(C)CC(=O)N(CC[NH+](C)C)CC1=CC(=C(C=C1)OC)OS(=O)(=O)C(C)C

InChI

InChI=1S/C20H34N2O5S/c1-15(2)12-20(23)22(11-10-21(5)6)14-17-8-9-18(26-7)19(13-17)27-28(24,25)16(3)4/h8-9,13,15-16H,10-12,14H2,1-7H3/p+1