4-[2-[bis(phenylmethyl)amino]-1-oxidanyl-ethyl]-3-methyl-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 4-[2-[bis(phenylmethyl)amino]-1-oxidanyl-ethyl]-3-methyl-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 4-[2-(dibenzylamino)-1-hydroxy-ethyl]-3-methyl-oxadiazol-3-ium-5-olate CAS Name: 4-[2-[bis(phenylmethyl)amino]-1-hydroxyethyl]-3-methyl-5-oxadiazol-3-iumolate IUPAC Name: 4-[2-(dibenzylamino)-1-hydroxyethyl]-3-methyloxadiazol-3-ium-5-olate Traditional Name: 4-[2-(dibenzylamino)-1-hydroxy-ethyl]-3-methyl-oxadiazol-3-ium-5-olate Formula: C19H21N3O3 MolecularWeight: 339.38834

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=NOC(=C1C(CN(CC2=CC=CC=C2)CC3=CC=CC=C3)O)[O-]

Isomeric SMILES

C[N+]1=NOC(=C1C(CN(CC2=CC=CC=C2)CC3=CC=CC=C3)O)[O-]

InChI

InChI=1S/C19H21N3O3/c1-21-18(19(24)25-20-21)17(23)14-22(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11,17,23H,12-14H2,1H3