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

Systemtic Name: 2-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl-thiophen-2-ylcarbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl-(thiophene-2-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-(dimethylamino)-5-[(3-methyl-1-oxobutyl)amino]phenyl]methyl-[oxo(thiophen-2-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl-(thiophene-2-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[[2-(dimethylamino)-5-(isovalerylamino)benzyl]-(2-thenoyl)amino]ethyl-dimethyl-ammonium Formula: C23H35N4O2S+ MolecularWeight: 431.6146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=C(C=C1)N(C)C)CN(CC[NH+](C)C)C(=O)C2=CC=CS2

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=C(C=C1)N(C)C)CN(CC[NH+](C)C)C(=O)C2=CC=CS2

InChI

InChI=1S/C23H34N4O2S/c1-17(2)14-22(28)24-19-9-10-20(26(5)6)18(15-19)16-27(12-11-25(3)4)23(29)21-8-7-13-30-21/h7-10,13,15,17H,11-12,14,16H2,1-6H3,(H,24,28)/p+1