3-[2-oxidanylidene-2-[[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]ethyl]-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 3-[2-oxidanylidene-2-[[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]ethyl]-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 3-[2-oxo-2-[[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]ethyl]oxadiazol-3-ium-5-olate CAS Name: 3-[2-oxo-2-[[(3S)-1-phenethyl-3-piperidin-1-iumyl]amino]ethyl]-5-oxadiazol-3-iumolate IUPAC Name: 3-[2-oxo-2-[[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]ethyl]oxadiazol-3-ium-5-olate Traditional Name: 3-[2-keto-2-[[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]ethyl]oxadiazol-3-ium-5-olate Formula: C17H23N4O3+ MolecularWeight: 331.38952

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C[N+]3=NOC(=C3)[O-]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C[N+]3=NOC(=C3)[O-]

InChI

InChI=1S/C17H22N4O3/c22-16(12-21-13-17(23)24-19-21)18-15-7-4-9-20(11-15)10-8-14-5-2-1-3-6-14/h1-3,5-6,13,15H,4,7-12H2,(H-,18,19,22,23)/p+1/t15-/m0/s1