N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-benzothiazole-6-carboxamide Formula: C18H20N3O2S+ MolecularWeight: 342.4353

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC3=C(C=C2)N=CS3)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC3=C(C=C2)N=CS3)C4=CC=CO4

InChI

InChI=1S/C18H19N3O2S/c22-18(13-5-6-14-17(10-13)24-12-20-14)19-11-15(16-4-3-9-23-16)21-7-1-2-8-21/h3-6,9-10,12,15H,1-2,7-8,11H2,(H,19,22)/p+1/t15-/m0/s1