3-(dicyclohexylamino)-2-[C-(4-methoxyphenyl)carbonimidoyl]-1,2,3-oxadiazol-3-ium-5-one

Systemtic Name: 3-(dicyclohexylamino)-2-[C-(4-methoxyphenyl)carbonimidoyl]-1,2,3-oxadiazol-3-ium-5-one Openeye Name: 3-(dicyclohexylamino)-2-(4-methoxybenzenecarboximidoyl)oxadiazol-3-ium-5-one CAS Name: 3-(dicyclohexylamino)-2-[imino-(4-methoxyphenyl)methyl]-5-oxadiazol-3-iumone IUPAC Name: 3-(dicyclohexylamino)-2-(4-methoxybenzenecarboximidoyl)oxadiazol-3-ium-5-one Traditional Name: 3-(dicyclohexylamino)-2-(4-methoxybenzimidoyl)oxadiazol-3-ium-5-one Formula: C22H31N4O3+ MolecularWeight: 399.50654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=N)N2[N+](=CC(=O)O2)N(C3CCCCC3)C4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C(=N)N2[N+](=CC(=O)O2)N(C3CCCCC3)C4CCCCC4

InChI

InChI=1S/C22H31N4O3/c1-28-20-14-12-17(13-15-20)22(23)26-24(16-21(27)29-26)25(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h12-16,18-19,23H,2-11H2,1H3/q+1