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

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide Formula: C25H28N3O3+ MolecularWeight: 418.50812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O3/c1-18-8-6-9-19(2)22(18)26-24(29)23(20-10-4-3-5-11-20)27-13-15-28(16-14-27)25(30)21-12-7-17-31-21/h3-12,17,23H,13-16H2,1-2H3,(H,26,29)/p+1