3-(2,6-dimethylpiperidin-1-yl)-4-hexyl-2-(C-phenylcarbonimidoyl)-1,2,3-oxadiazol-3-ium-5-one

Systemtic Name: 3-(2,6-dimethylpiperidin-1-yl)-4-hexyl-2-(C-phenylcarbonimidoyl)-1,2,3-oxadiazol-3-ium-5-one Openeye Name: 2-(benzenecarboximidoyl)-3-(2,6-dimethyl-1-piperidyl)-4-hexyl-oxadiazol-3-ium-5-one CAS Name: 3-(2,6-dimethyl-1-piperidinyl)-4-hexyl-2-[imino(phenyl)methyl]-5-oxadiazol-3-iumone IUPAC Name: 2-(benzenecarboximidoyl)-3-(2,6-dimethylpiperidin-1-yl)-4-hexyloxadiazol-3-ium-5-one Traditional Name: 2-benzimidoyl-3-(2,6-dimethylpiperidino)-4-hexyl-oxadiazol-3-ium-5-one Formula: C22H33N4O2+ MolecularWeight: 385.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=[N+](N(OC1=O)C(=N)C2=CC=CC=C2)N3C(CCCC3C)C

Isomeric SMILES

CCCCCCC1=[N+](N(OC1=O)C(=N)C2=CC=CC=C2)N3C(CCCC3C)C

InChI

InChI=1S/C22H33N4O2/c1-4-5-6-10-16-20-22(27)28-26(21(23)19-14-8-7-9-15-19)25(20)24-17(2)12-11-13-18(24)3/h7-9,14-15,17-18,23H,4-6,10-13,16H2,1-3H3/q+1