N-(2,6-dimethylphenyl)-1-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]cyclohexane-1-carboxamide

Systemtic Name: N-(2,6-dimethylphenyl)-1-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]cyclohexane-1-carboxamide Openeye Name: N-(2,6-dimethylphenyl)-1-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]cyclohexanecarboxamide CAS Name: N-(2,6-dimethylphenyl)-1-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-1-cyclohexanecarboxamide IUPAC Name: N-(2,6-dimethylphenyl)-1-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]cyclohexane-1-carboxamide Traditional Name: N-(2,6-dimethylphenyl)-1-[4-(2-furoyl)piperazin-1-ium-1-yl]cyclohexanecarboxamide Formula: C24H32N3O3+ MolecularWeight: 410.52918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2(CCCCC2)[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2(CCCCC2)[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C24H31N3O3/c1-18-8-6-9-19(2)21(18)25-23(29)24(11-4-3-5-12-24)27-15-13-26(14-16-27)22(28)20-10-7-17-30-20/h6-10,17H,3-5,11-16H2,1-2H3,(H,25,29)/p+1