3-[[2-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]azaniumyl]propyl-diethyl-azanium

Systemtic Name: 3-[[2-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]azaniumyl]propyl-diethyl-azanium Openeye Name: 3-[[2-[(3-ethoxycarbonyl-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl]ammonio]propyl-diethyl-ammonium CAS Name: 3-[[2-[(3-ethoxycarbonyl-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl]ammonio]propyl-diethylammonium IUPAC Name: 3-[[2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]azaniumyl]propyl-diethylazanium Traditional Name: 3-[[2-[(3-carbethoxy-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl]ammonio]propyl-diethyl-ammonium Formula: C18H33N3O3S+2 MolecularWeight: 371.53792

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC[NH2+]CC(=O)NC1=C(C(=C(S1)C)C)C(=O)OCC

Isomeric SMILES

CC[NH+](CC)CCC[NH2+]CC(=O)NC1=C(C(=C(S1)C)C)C(=O)OCC

InChI

InChI=1S/C18H31N3O3S/c1-6-21(7-2)11-9-10-19-12-15(22)20-17-16(18(23)24-8-3)13(4)14(5)25-17/h19H,6-12H2,1-5H3,(H,20,22)/p+2