(3R)-3-[[5-(2-thiophen-3-ylethyl)furan-2-yl]carbonylamino]-4-(trimethylazaniumyl)butanoate

Systemtic Name: (3R)-3-[[5-(2-thiophen-3-ylethyl)furan-2-yl]carbonylamino]-4-(trimethylazaniumyl)butanoate Openeye Name: (3R)-3-[[5-[2-(3-thienyl)ethyl]furan-2-carbonyl]amino]-4-(trimethylammonio)butanoate CAS Name: (3R)-3-[[oxo-[5-[2-(3-thiophenyl)ethyl]-2-furanyl]methyl]amino]-4-(trimethylammonio)butanoate IUPAC Name: (3R)-3-[[5-(2-thiophen-3-ylethyl)furan-2-carbonyl]amino]-4-(trimethylazaniumyl)butanoate Traditional Name: (3R)-3-[[5-[2-(3-thienyl)ethyl]-2-furoyl]amino]-4-(trimethylammonio)butyrate Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)[O-])NC(=O)C1=CC=C(O1)CCC2=CSC=C2

Isomeric SMILES

C[N+](C)(C)C[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(O1)CCC2=CSC=C2

InChI

InChI=1S/C18H24N2O4S/c1-20(2,3)11-14(10-17(21)22)19-18(23)16-7-6-15(24-16)5-4-13-8-9-25-12-13/h6-9,12,14H,4-5,10-11H2,1-3H3,(H-,19,21,22,23)/t14-/m1/s1