2-[3-methoxy-3-methyl-4-[phenyl(propanoyl)amino]-1-(2-thiophen-2-ylethyl)piperidin-1-ium-1-yl]oxy-2-oxidanylidene-ethanoate

Systemtic Name: 2-[3-methoxy-3-methyl-4-[phenyl(propanoyl)amino]-1-(2-thiophen-2-ylethyl)piperidin-1-ium-1-yl]oxy-2-oxidanylidene-ethanoate Openeye Name: 2-[3-methoxy-3-methyl-4-(N-propanoylanilino)-1-[2-(2-thienyl)ethyl]piperidin-1-ium-1-yl]oxy-2-oxo-acetate CAS Name: 2-[[3-methoxy-3-methyl-4-[N-(1-oxopropyl)anilino]-1-(2-thiophen-2-ylethyl)-1-piperidin-1-iumyl]oxy]-2-oxoacetate IUPAC Name: 2-[3-methoxy-3-methyl-4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-1-ium-1-yl]oxy-2-oxoacetate Traditional Name: 2-keto-2-[3-methoxy-3-methyl-4-(N-propionylanilino)-1-[2-(2-thienyl)ethyl]piperidin-1-ium-1-yl]oxy-acetate Formula: C24H30N2O6S MolecularWeight: 474.5698

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1CC[N+](CC1(C)OC)(CCC2=CC=CS2)OC(=O)C(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCC(=O)N(C1CC[N+](CC1(C)OC)(CCC2=CC=CS2)OC(=O)C(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C24H30N2O6S/c1-4-21(27)25(18-9-6-5-7-10-18)20-13-15-26(17-24(20,2)31-3,32-23(30)22(28)29)14-12-19-11-8-16-33-19/h5-11,16,20H,4,12-15,17H2,1-3H3