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

Systemtic Name: 2-[C-(4-chlorophenyl)carbonimidoyl]-3-(dicyclohexylamino)-1,2,3-oxadiazol-3-ium-5-one Openeye Name: 2-(4-chlorobenzenecarboximidoyl)-3-(dicyclohexylamino)oxadiazol-3-ium-5-one CAS Name: 2-[(4-chlorophenyl)-iminomethyl]-3-(dicyclohexylamino)-5-oxadiazol-3-iumone IUPAC Name: 2-(4-chlorobenzenecarboximidoyl)-3-(dicyclohexylamino)oxadiazol-3-ium-5-one Traditional Name: 2-(4-chlorobenzimidoyl)-3-(dicyclohexylamino)oxadiazol-3-ium-5-one Formula: C21H28ClN4O2+ MolecularWeight: 403.92562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)[N+]3=CC(=O)ON3C(=N)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)[N+]3=CC(=O)ON3C(=N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H28ClN4O2/c22-17-13-11-16(12-14-17)21(23)26-24(15-20(27)28-26)25(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h11-15,18-19,23H,1-10H2/q+1