N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide Openeye Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(2-thienyl)thiazole-4-carboxamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-thiophen-2-yl-4-thiazolecarboxamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide Traditional Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(2-thienyl)thiazole-4-carboxamide Formula: C18H20N3O2S2+ MolecularWeight: 374.5003

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CSC(=N2)C3=CC=CS3)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CSC(=N2)C3=CC=CS3)C4=CC=CO4

InChI

InChI=1S/C18H19N3O2S2/c22-17(13-12-25-18(20-13)16-6-4-10-24-16)19-11-14(15-5-3-9-23-15)21-7-1-2-8-21/h3-6,9-10,12,14H,1-2,7-8,11H2,(H,19,22)/p+1/t14-/m0/s1