2-[3-methyl-3-oxidanyl-1-phenethyl-4-[phenyl(propanoyl)amino]piperidin-1-ium-1-yl]oxy-2-oxidanylidene-ethanoate

Systemtic Name: 2-[3-methyl-3-oxidanyl-1-phenethyl-4-[phenyl(propanoyl)amino]piperidin-1-ium-1-yl]oxy-2-oxidanylidene-ethanoate Openeye Name: 2-[3-hydroxy-3-methyl-1-phenethyl-4-(N-propanoylanilino)piperidin-1-ium-1-yl]oxy-2-oxo-acetate CAS Name: 2-[[3-hydroxy-3-methyl-4-[N-(1-oxopropyl)anilino]-1-phenethyl-1-piperidin-1-iumyl]oxy]-2-oxoacetate IUPAC Name: 2-[3-hydroxy-3-methyl-1-phenethyl-4-(N-propanoylanilino)piperidin-1-ium-1-yl]oxy-2-oxoacetate Traditional Name: 2-[3-hydroxy-3-methyl-1-phenethyl-4-(N-propionylanilino)piperidin-1-ium-1-yl]oxy-2-keto-acetate Formula: C25H30N2O6 MolecularWeight: 454.5155

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1CC[N+](CC1(C)O)(CCC2=CC=CC=C2)OC(=O)C(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCC(=O)N(C1CC[N+](CC1(C)O)(CCC2=CC=CC=C2)OC(=O)C(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C25H30N2O6/c1-3-22(28)26(20-12-8-5-9-13-20)21-15-17-27(18-25(21,2)32,33-24(31)23(29)30)16-14-19-10-6-4-7-11-19/h4-13,21,32H,3,14-18H2,1-2H3