3-[2-(3-ethoxycarbonyl-3-phenethyl-piperidin-1-yl)-2-oxidanylidene-ethyl]-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 3-[2-(3-ethoxycarbonyl-3-phenethyl-piperidin-1-yl)-2-oxidanylidene-ethyl]-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 3-[2-(3-ethoxycarbonyl-3-phenethyl-1-piperidyl)-2-oxo-ethyl]oxadiazol-3-ium-5-olate CAS Name: 3-[2-(3-ethoxycarbonyl-3-phenethyl-1-piperidinyl)-2-oxoethyl]-5-oxadiazol-3-iumolate IUPAC Name: 3-[2-(3-ethoxycarbonyl-3-phenethylpiperidin-1-yl)-2-oxoethyl]oxadiazol-3-ium-5-olate Traditional Name: 3-[2-(3-carbethoxy-3-phenethyl-piperidino)-2-keto-ethyl]oxadiazol-3-ium-5-olate Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C[N+]2=NOC(=C2)[O-])CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C[N+]2=NOC(=C2)[O-])CCC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O5/c1-2-27-19(26)20(11-9-16-7-4-3-5-8-16)10-6-12-22(15-20)17(24)13-23-14-18(25)28-21-23/h3-5,7-8,14H,2,6,9-13,15H2,1H3