4-[1-[[4-(2-ethoxy-2-oxidanylidene-ethoxy)phenyl]-ethyl-oxidanidyl-azaniumyl]-1-oxidanylidene-propan-2-yl]oxypiperidine-1-carboxylate

Systemtic Name: 4-[1-[[4-(2-ethoxy-2-oxidanylidene-ethoxy)phenyl]-ethyl-oxidanidyl-azaniumyl]-1-oxidanylidene-propan-2-yl]oxypiperidine-1-carboxylate Openeye Name: 4-[2-[[4-(2-ethoxy-2-oxo-ethoxy)phenyl]-ethyl-oxido-ammonio]-1-methyl-2-oxo-ethoxy]piperidine-1-carboxylate CAS Name: 4-[1-[[4-(2-ethoxy-2-oxoethoxy)phenyl]-ethyl-oxidoammonio]-1-oxopropan-2-yl]oxy-1-piperidinecarboxylate IUPAC Name: 4-[1-[[4-(2-ethoxy-2-oxoethoxy)phenyl]-ethyl-oxidoazaniumyl]-1-oxopropan-2-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[2-[[4-(2-ethoxy-2-keto-ethoxy)phenyl]-ethyl-oxido-ammonio]-2-keto-1-methyl-ethoxy]piperidine-1-carboxylate Formula: C21H29N2O8- MolecularWeight: 437.46356

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C1=CC=C(C=C1)OCC(=O)OCC)(C(=O)C(C)OC2CCN(CC2)C(=O)[O-])[O-]

Isomeric SMILES

CC[N+](C1=CC=C(C=C1)OCC(=O)OCC)(C(=O)C(C)OC2CCN(CC2)C(=O)[O-])[O-]

InChI

InChI=1S/C21H30N2O8/c1-4-23(28,16-6-8-17(9-7-16)30-14-19(24)29-5-2)20(25)15(3)31-18-10-12-22(13-11-18)21(26)27/h6-9,15,18H,4-5,10-14H2,1-3H3,(H,26,27)/p-1