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

Systemtic Name: 2-[3-methoxy-3-methyl-1-phenethyl-4-[phenyl(propanoyl)amino]piperidin-1-ium-1-yl]oxy-2-oxidanylidene-ethanoate Openeye Name: 2-[3-methoxy-3-methyl-1-phenethyl-4-(N-propanoylanilino)piperidin-1-ium-1-yl]oxy-2-oxo-acetate CAS Name: 2-[[3-methoxy-3-methyl-4-[N-(1-oxopropyl)anilino]-1-phenethyl-1-piperidin-1-iumyl]oxy]-2-oxoacetate IUPAC Name: 2-[3-methoxy-3-methyl-1-phenethyl-4-(N-propanoylanilino)piperidin-1-ium-1-yl]oxy-2-oxoacetate Traditional Name: 2-keto-2-[3-methoxy-3-methyl-1-phenethyl-4-(N-propionylanilino)piperidin-1-ium-1-yl]oxy-acetate Formula: C26H32N2O6 MolecularWeight: 468.54208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O6/c1-4-23(29)27(21-13-9-6-10-14-21)22-16-18-28(19-26(22,2)33-3,34-25(32)24(30)31)17-15-20-11-7-5-8-12-20/h5-14,22H,4,15-19H2,1-3H3