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

Systemtic Name: cyclohexyl-[[2-[[2-[(3-ethoxycarbonyl-5-ethyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]amino]phenyl]methyl]-methyl-azanium Openeye Name: cyclohexyl-[[2-[[2-[(3-ethoxycarbonyl-5-ethyl-4-methyl-2-thienyl)amino]-2-oxo-ethyl]amino]phenyl]methyl]-methyl-ammonium CAS Name: cyclohexyl-[[2-[[2-[(3-ethoxycarbonyl-5-ethyl-4-methyl-2-thiophenyl)amino]-2-oxoethyl]amino]phenyl]methyl]-methylammonium IUPAC Name: cyclohexyl-[[2-[[2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]amino]phenyl]methyl]-methylazanium Traditional Name: [2-[[2-[(3-carbethoxy-5-ethyl-4-methyl-2-thienyl)amino]-2-keto-ethyl]amino]benzyl]-cyclohexyl-methyl-ammonium Formula: C26H38N3O3S+ MolecularWeight: 472.66322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)NC(=O)CNC2=CC=CC=C2C[NH+](C)C3CCCCC3)C(=O)OCC)C

Isomeric SMILES

CCC1=C(C(=C(S1)NC(=O)CNC2=CC=CC=C2C[NH+](C)C3CCCCC3)C(=O)OCC)C

InChI

InChI=1S/C26H37N3O3S/c1-5-22-18(3)24(26(31)32-6-2)25(33-22)28-23(30)16-27-21-15-11-10-12-19(21)17-29(4)20-13-8-7-9-14-20/h10-12,15,20,27H,5-9,13-14,16-17H2,1-4H3,(H,28,30)/p+1