2-[[2-[(3-ethoxycarbonyl-5-methyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-[(3-ethoxycarbonyl-5-methyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thienyl)amino]-2-oxo-ethyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thiophenyl)amino]-2-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-[(3-ethoxycarbonyl-5-methyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[2-[(3-carbethoxy-5-methyl-4-phenyl-2-thienyl)amino]-2-keto-ethyl]amino]ethyl-dimethyl-ammonium Formula: C20H28N3O3S+ MolecularWeight: 390.51962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)CNCC[NH+](C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)CNCC[NH+](C)C

InChI

InChI=1S/C20H27N3O3S/c1-5-26-20(25)18-17(15-9-7-6-8-10-15)14(2)27-19(18)22-16(24)13-21-11-12-23(3)4/h6-10,21H,5,11-13H2,1-4H3,(H,22,24)/p+1