butyl-[2-[[4-(4-chlorophenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]-ethyl-azanium

Systemtic Name: butyl-[2-[[4-(4-chlorophenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]-ethyl-azanium Openeye Name: butyl-[2-[[4-(4-chlorophenyl)-3-ethoxycarbonyl-2-thienyl]amino]-2-oxo-ethyl]-ethyl-ammonium CAS Name: butyl-[2-[[4-(4-chlorophenyl)-3-ethoxycarbonyl-2-thiophenyl]amino]-2-oxoethyl]-ethylammonium IUPAC Name: butyl-[2-[[4-(4-chlorophenyl)-3-ethoxycarbonylthiophen-2-yl]amino]-2-oxoethyl]-ethylazanium Traditional Name: butyl-[2-[[3-carbethoxy-4-(4-chlorophenyl)-2-thienyl]amino]-2-keto-ethyl]-ethyl-ammonium Formula: C21H28ClN2O3S+ MolecularWeight: 423.97662

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC)CC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)Cl)C(=O)OCC

Isomeric SMILES

CCCC[NH+](CC)CC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)Cl)C(=O)OCC

InChI

InChI=1S/C21H27ClN2O3S/c1-4-7-12-24(5-2)13-18(25)23-20-19(21(26)27-6-3)17(14-28-20)15-8-10-16(22)11-9-15/h8-11,14H,4-7,12-13H2,1-3H3,(H,23,25)/p+1