[2-[[3,5-bis(ethoxycarbonyl)-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]-butyl-methyl-azanium

Systemtic Name: [2-[[3,5-bis(ethoxycarbonyl)-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]-butyl-methyl-azanium Openeye Name: [2-[[3,5-bis(ethoxycarbonyl)-4-methyl-2-thienyl]amino]-2-oxo-ethyl]-butyl-methyl-ammonium CAS Name: [2-[[3,5-bis(ethoxycarbonyl)-4-methyl-2-thiophenyl]amino]-2-oxoethyl]-butyl-methylammonium IUPAC Name: [2-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]-butyl-methylazanium Traditional Name: butyl-[2-[(3,5-dicarbethoxy-4-methyl-2-thienyl)amino]-2-keto-ethyl]-methyl-ammonium Formula: C18H29N2O5S+ MolecularWeight: 385.49826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O5S/c1-6-9-10-20(5)11-13(21)19-16-14(17(22)24-7-2)12(4)15(26-16)18(23)25-8-3/h6-11H2,1-5H3,(H,19,21)/p+1