2-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl-(2-ethylbutanoyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl-(2-ethylbutanoyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl-(2-ethylbutanoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-(dimethylamino)-5-[(3-methyl-1-oxobutyl)amino]phenyl]methyl-(2-ethyl-1-oxobutyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl-(2-ethylbutanoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[[2-(dimethylamino)-5-(isovalerylamino)benzyl]-(2-ethylbutanoyl)amino]ethyl-dimethyl-ammonium Formula: C24H43N4O2+ MolecularWeight: 419.62382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N(CC[NH+](C)C)CC1=C(C=CC(=C1)NC(=O)CC(C)C)N(C)C

Isomeric SMILES

CCC(CC)C(=O)N(CC[NH+](C)C)CC1=C(C=CC(=C1)NC(=O)CC(C)C)N(C)C

InChI

InChI=1S/C24H42N4O2/c1-9-19(10-2)24(30)28(14-13-26(5)6)17-20-16-21(11-12-22(20)27(7)8)25-23(29)15-18(3)4/h11-12,16,18-19H,9-10,13-15,17H2,1-8H3,(H,25,29)/p+1