N-(2,3-dimethylphenyl)-2-[4-(furan-3-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-(furan-3-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-(furan-3-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[3-furanyl(oxo)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(furan-3-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-(3-furoyl)piperazin-1-ium-1-yl]acetamide Formula: C19H24N3O3+ MolecularWeight: 342.41216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=COC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=COC=C3)C

InChI

InChI=1S/C19H23N3O3/c1-14-4-3-5-17(15(14)2)20-18(23)12-21-7-9-22(10-8-21)19(24)16-6-11-25-13-16/h3-6,11,13H,7-10,12H2,1-2H3,(H,20,23)/p+1