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

Systemtic Name: N-(1,3-benzothiazol-5-yl)-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: N-(1,3-benzothiazol-5-yl)-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: N-(1,3-benzothiazol-5-yl)-5-[(2R)-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-(1,3-benzothiazol-5-yl)-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: N-(1,3-benzothiazol-5-yl)-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C16H16N3OS2+ MolecularWeight: 330.44774

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C2=CC=C(S2)C(=O)NC3=CC4=C(C=C3)SC=N4

Isomeric SMILES

C1C[C@@H]([NH2+]C1)C2=CC=C(S2)C(=O)NC3=CC4=C(C=C3)SC=N4

InChI

InChI=1S/C16H15N3OS2/c20-16(15-6-5-14(22-15)11-2-1-7-17-11)19-10-3-4-13-12(8-10)18-9-21-13/h3-6,8-9,11,17H,1-2,7H2,(H,19,20)/p+1/t11-/m1/s1