N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide Openeye Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxo-4-(2-thienyl)butanamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-4-oxo-4-thiophen-2-ylbutanamide Traditional Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-keto-4-(2-thienyl)butyramide Formula: C18H23N2O3S+ MolecularWeight: 347.45182

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)CCC(=O)C2=CC=CS2)C3=CC=CO3

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)CCC(=O)C2=CC=CS2)C3=CC=CO3

InChI

InChI=1S/C18H22N2O3S/c21-15(17-6-4-12-24-17)7-8-18(22)19-13-14(16-5-3-11-23-16)20-9-1-2-10-20/h3-6,11-12,14H,1-2,7-10,13H2,(H,19,22)/p+1/t14-/m0/s1