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

Systemtic Name: cyclohexyl-[[2-[[2-[(3-ethoxycarbonyl-5-ethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]amino]phenyl]methyl]-methyl-azanium Openeye Name: cyclohexyl-[[2-[[2-[(3-ethoxycarbonyl-5-ethyl-2-thienyl)amino]-2-oxo-ethyl]amino]phenyl]methyl]-methyl-ammonium CAS Name: cyclohexyl-[[2-[[2-[(3-ethoxycarbonyl-5-ethyl-2-thiophenyl)amino]-2-oxoethyl]amino]phenyl]methyl]-methylammonium IUPAC Name: cyclohexyl-[[2-[[2-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl]amino]phenyl]methyl]-methylazanium Traditional Name: [2-[[2-[(3-carbethoxy-5-ethyl-2-thienyl)amino]-2-keto-ethyl]amino]benzyl]-cyclohexyl-methyl-ammonium Formula: C25H36N3O3S+ MolecularWeight: 458.63664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O3S/c1-4-20-15-21(25(30)31-5-2)24(32-20)27-23(29)16-26-22-14-10-9-11-18(22)17-28(3)19-12-7-6-8-13-19/h9-11,14-15,19,26H,4-8,12-13,16-17H2,1-3H3,(H,27,29)/p+1