5-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiophene-2-carboxamide

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiophene-2-carboxamide Openeye Name: 5-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiophene-2-carboxamide CAS Name: 5-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-thiophenecarboxamide IUPAC Name: 5-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]thiophene-2-carboxamide Traditional Name: 5-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiophene-2-carboxamide Formula: C22H22N3O2S2+ MolecularWeight: 424.55898

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3)C5=CC=CO5

Isomeric SMILES

C1CC[NH+](C1)[C@H](CNC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3)C5=CC=CO5

InChI

InChI=1S/C22H21N3O2S2/c26-21(23-14-16(17-7-5-13-27-17)25-11-3-4-12-25)19-9-10-20(28-19)22-24-15-6-1-2-8-18(15)29-22/h1-2,5-10,13,16H,3-4,11-12,14H2,(H,23,26)/p+1/t16-/m1/s1