5-(1,3-benzothiazol-2-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]furan-2-carboxamide

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]furan-2-carboxamide Openeye Name: 5-(1,3-benzothiazol-2-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]furan-2-carboxamide CAS Name: 5-(1,3-benzothiazol-2-yl)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-furancarboxamide IUPAC Name: 5-(1,3-benzothiazol-2-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]furan-2-carboxamide Traditional Name: 5-(1,3-benzothiazol-2-yl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-2-furamide Formula: C24H24N3O2S+ MolecularWeight: 418.53126

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CC=C(O3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CC=C(O3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H23N3O2S/c28-23(25-15-17-7-9-18(10-8-17)16-27-13-3-4-14-27)20-11-12-21(29-20)24-26-19-5-1-2-6-22(19)30-24/h1-2,5-12H,3-4,13-16H2,(H,25,28)/p+1