N-[5-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

Systemtic Name: N-[5-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide Openeye Name: N-[5-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]-2-thienyl]furan-2-carboxamide CAS Name: N-[5-[oxo-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]methyl]-2-thiophenyl]-2-furancarboxamide IUPAC Name: N-[5-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide Traditional Name: N-[5-[[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]carbamoyl]-2-thienyl]-2-furamide Formula: C22H24N3O3S+ MolecularWeight: 410.50926

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CC=C(S3)NC(=O)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CC=C(S3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C22H23N3O3S/c26-21(18-8-5-13-28-18)24-20-10-9-19(29-20)22(27)23-14-16-6-1-2-7-17(16)15-25-11-3-4-12-25/h1-2,5-10,13H,3-4,11-12,14-15H2,(H,23,27)(H,24,26)/p+1