N-(3,5-dimethylphenyl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3,5-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3,5-dimethylphenyl)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3,5-dimethylphenyl)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]acetamide Formula: C19H24N3O3+ MolecularWeight: 342.41216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CO3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CO3)C

InChI

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