(2S)-N-(2,5-dimethylphenyl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2S)-N-(2,5-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=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O3/c1-18-10-11-19(2)21(17-18)26-24(29)23(20-7-4-3-5-8-20)27-12-14-28(15-13-27)25(30)22-9-6-16-31-22/h3-11,16-17,23H,12-15H2,1-2H3,(H,26,29)/p+1/t23-/m0/s1