3,4,5-trimethoxy-N-[3-(1-phenylpropan-2-yl)-1,2,3-oxadiazol-3-ium-5-yl]benzenecarboximidate

Systemtic Name: 3,4,5-trimethoxy-N-[3-(1-phenylpropan-2-yl)-1,2,3-oxadiazol-3-ium-5-yl]benzenecarboximidate Openeye Name: 3,4,5-trimethoxy-N-[3-(1-methyl-2-phenyl-ethyl)oxadiazol-3-ium-5-yl]benzenecarboximidate CAS Name: 3,4,5-trimethoxy-N-[3-(1-phenylpropan-2-yl)-5-oxadiazol-3-iumyl]benzenecarboximidate IUPAC Name: 3,4,5-trimethoxy-N-[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]benzenecarboximidate Traditional Name: 3,4,5-trimethoxy-N-[3-(1-methyl-2-phenyl-ethyl)oxadiazol-3-ium-5-yl]benzenecarboximidate Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)N=C(C3=CC(=C(C(=C3)OC)OC)OC)[O-]

Isomeric SMILES

CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)N=C(C3=CC(=C(C(=C3)OC)OC)OC)[O-]

InChI

InChI=1S/C21H23N3O5/c1-14(10-15-8-6-5-7-9-15)24-13-19(29-23-24)22-21(25)16-11-17(26-2)20(28-4)18(12-16)27-3/h5-9,11-14H,10H2,1-4H3