(2S)-2-phenyl-2-[4-(2,4,5-trimethylfuran-3-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: (2S)-2-phenyl-2-[4-(2,4,5-trimethylfuran-3-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: (2S)-2-phenyl-2-[4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: (2S)-2-[4-[oxo-(2,4,5-trimethyl-3-furanyl)methyl]-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2S)-2-phenyl-2-[4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: (2S)-2-phenyl-2-[4-(2,4,5-trimethyl-3-furoyl)piperazin-1-ium-1-yl]acetamide Formula: C20H26N3O3+ MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C(=O)N)C)C

Isomeric SMILES

CC1=C(OC(=C1C(=O)N2CC[NH+](CC2)[C@@H](C3=CC=CC=C3)C(=O)N)C)C

InChI

InChI=1S/C20H25N3O3/c1-13-14(2)26-15(3)17(13)20(25)23-11-9-22(10-12-23)18(19(21)24)16-7-5-4-6-8-16/h4-8,18H,9-12H2,1-3H3,(H2,21,24)/p+1/t18-/m0/s1