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

Systemtic Name: (2S)-N-(ethylcarbamoyl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2S)-N-(ethylcarbamoyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2S)-N-(ethylcarbamoyl)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2S)-N-(ethylcarbamoyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2S)-N-(ethylcarbamoyl)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide Formula: C20H25N4O4+ MolecularWeight: 385.4369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4/c1-2-21-20(27)22-18(25)17(15-7-4-3-5-8-15)23-10-12-24(13-11-23)19(26)16-9-6-14-28-16/h3-9,14,17H,2,10-13H2,1H3,(H2,21,22,25,27)/p+1/t17-/m0/s1