N-[5-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

Systemtic Name: N-[5-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide Openeye Name: N-[5-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]-2-thienyl]furan-2-carboxamide CAS Name: N-[5-[oxo-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]methyl]-2-thiophenyl]-2-furancarboxamide IUPAC Name: N-[5-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide Traditional Name: N-[5-[[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]carbamoyl]-2-thienyl]-2-furamide Formula: C22H24N3O3S+ MolecularWeight: 410.50926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CC=C(S3)NC(=O)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CC=C(S3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C22H23N3O3S/c26-21(18-4-3-13-28-18)24-20-10-9-19(29-20)22(27)23-14-16-5-7-17(8-6-16)15-25-11-1-2-12-25/h3-10,13H,1-2,11-12,14-15H2,(H,23,27)(H,24,26)/p+1