3-[2-[3-[(naphthalen-1-ylcarbonylamino)methyl]piperidin-1-yl]-2-oxidanylidene-ethyl]-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 3-[2-[3-[(naphthalen-1-ylcarbonylamino)methyl]piperidin-1-yl]-2-oxidanylidene-ethyl]-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 3-[2-[3-[(naphthalene-1-carbonylamino)methyl]-1-piperidyl]-2-oxo-ethyl]oxadiazol-3-ium-5-olate CAS Name: 3-[2-[3-[[[1-naphthalenyl(oxo)methyl]amino]methyl]-1-piperidinyl]-2-oxoethyl]-5-oxadiazol-3-iumolate IUPAC Name: 3-[2-[3-[(naphthalene-1-carbonylamino)methyl]piperidin-1-yl]-2-oxoethyl]oxadiazol-3-ium-5-olate Traditional Name: 3-[2-keto-2-[3-[(1-naphthoylamino)methyl]piperidino]ethyl]oxadiazol-3-ium-5-olate Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C[N+]2=NOC(=C2)[O-])CNC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CC(CN(C1)C(=O)C[N+]2=NOC(=C2)[O-])CNC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H22N4O4/c26-19(13-25-14-20(27)29-23-25)24-10-4-5-15(12-24)11-22-21(28)18-9-3-7-16-6-1-2-8-17(16)18/h1-3,6-9,14-15H,4-5,10-13H2,(H-,22,23,27,28)