N'-(3-phenethyl-1,2,3-oxadiazol-3-ium-5-yl)-N-(3,4,5-trimethoxyphenyl)carbamimidate

Systemtic Name: N'-(3-phenethyl-1,2,3-oxadiazol-3-ium-5-yl)-N-(3,4,5-trimethoxyphenyl)carbamimidate Openeye Name: N'-(3-phenethyloxadiazol-3-ium-5-yl)-N-(3,4,5-trimethoxyphenyl)carbamimidate CAS Name: N'-(3-phenethyl-5-oxadiazol-3-iumyl)-N-(3,4,5-trimethoxyphenyl)carbamimidate IUPAC Name: N'-(3-phenethyloxadiazol-3-ium-5-yl)-N-(3,4,5-trimethoxyphenyl)carbamimidate Traditional Name: N'-(3-phenethyloxadiazol-3-ium-5-yl)-N-(3,4,5-trimethoxyphenyl)carbamimidate Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=NC2=C[N+](=NO2)CCC3=CC=CC=C3)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=NC2=C[N+](=NO2)CCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C20H22N4O5/c1-26-16-11-15(12-17(27-2)19(16)28-3)21-20(25)22-18-13-24(23-29-18)10-9-14-7-5-4-6-8-14/h4-8,11-13H,9-10H2,1-3H3,(H-,21,22,23,25)