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

Systemtic Name: 2-[[2-[[4-(4-chlorophenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]amino]ethyl-diethyl-azanium Openeye Name: 2-[[2-[[4-(4-chlorophenyl)-3-ethoxycarbonyl-2-thienyl]amino]-2-oxo-ethyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[2-[[4-(4-chlorophenyl)-3-ethoxycarbonyl-2-thiophenyl]amino]-2-oxoethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[2-[[4-(4-chlorophenyl)-3-ethoxycarbonylthiophen-2-yl]amino]-2-oxoethyl]amino]ethyl-diethylazanium Traditional Name: 2-[[2-[[3-carbethoxy-4-(4-chlorophenyl)-2-thienyl]amino]-2-keto-ethyl]amino]ethyl-diethyl-ammonium Formula: C21H29ClN3O3S+ MolecularWeight: 438.99126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClN3O3S/c1-4-25(5-2)12-11-23-13-18(26)24-20-19(21(27)28-6-3)17(14-29-20)15-7-9-16(22)10-8-15/h7-10,14,23H,4-6,11-13H2,1-3H3,(H,24,26)/p+1