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

Systemtic Name: 2-[[2-(dimethylamino)-5-(ethylcarbamoylamino)phenyl]methyl-(2-ethylbutanoyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(dimethylamino)-5-(ethylcarbamoylamino)phenyl]methyl-(2-ethylbutanoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-(dimethylamino)-5-(ethylcarbamoylamino)phenyl]methyl-(2-ethyl-1-oxobutyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(dimethylamino)-5-(ethylcarbamoylamino)phenyl]methyl-(2-ethylbutanoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[[2-(dimethylamino)-5-(ethylcarbamoylamino)benzyl]-(2-ethylbutanoyl)amino]ethyl-dimethyl-ammonium Formula: C22H40N5O2+ MolecularWeight: 406.5853

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)NCC)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H39N5O2/c1-8-17(9-2)21(28)27(14-13-25(4)5)16-18-15-19(24-22(29)23-10-3)11-12-20(18)26(6)7/h11-12,15,17H,8-10,13-14,16H2,1-7H3,(H2,23,24,29)/p+1