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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O3S/c1-4-11-24(12-5-2)13-18(25)23-20-19(21(26)27-6-3)17(14-28-20)15-7-9-16(22)10-8-15/h7-10,14H,4-6,11-13H2,1-3H3,(H,23,25)/p+1