2-[1-[ethanoyl(phenyl)amino]-4-ethoxycarbonyl-1-phenethyl-piperidin-1-ium-4-yl]oxy-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[1-[ethanoyl(phenyl)amino]-4-ethoxycarbonyl-1-phenethyl-piperidin-1-ium-4-yl]oxy-2-oxidanylidene-ethanoic acid Openeye Name: 2-[1-(N-acetylanilino)-4-ethoxycarbonyl-1-phenethyl-piperidin-1-ium-4-yl]oxy-2-oxo-acetic acid CAS Name: 2-[[1-(N-acetylanilino)-4-ethoxycarbonyl-1-phenethyl-4-piperidin-1-iumyl]oxy]-2-oxoacetic acid IUPAC Name: 2-[1-(N-acetylanilino)-4-ethoxycarbonyl-1-phenethylpiperidin-1-ium-4-yl]oxy-2-oxoacetic acid Traditional Name: 2-[1-(N-acetylanilino)-4-carbethoxy-1-phenethyl-piperidin-1-ium-4-yl]oxy-2-keto-acetic acid Formula: C26H31N2O7+ MolecularWeight: 483.53354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[N+](CC1)(CCC2=CC=CC=C2)N(C3=CC=CC=C3)C(=O)C)OC(=O)C(=O)O

Isomeric SMILES

CCOC(=O)C1(CC[N+](CC1)(CCC2=CC=CC=C2)N(C3=CC=CC=C3)C(=O)C)OC(=O)C(=O)O

InChI

InChI=1S/C26H30N2O7/c1-3-34-25(33)26(35-24(32)23(30)31)15-18-28(19-16-26,17-14-21-10-6-4-7-11-21)27(20(2)29)22-12-8-5-9-13-22/h4-13H,3,14-19H2,1-2H3/p+1