N-[4-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide

Systemtic Name: N-[4-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide Openeye Name: N-[4-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide CAS Name: N-[4-[oxo-[[2-(1-piperidin-1-iumylmethyl)phenyl]methylamino]methyl]phenyl]-2-furancarboxamide IUPAC Name: N-[4-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide Traditional Name: N-[4-[[2-(piperidin-1-ium-1-ylmethyl)benzyl]carbamoyl]phenyl]-2-furamide Formula: C25H28N3O3+ MolecularWeight: 418.50812

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C25H27N3O3/c29-24(19-10-12-22(13-11-19)27-25(30)23-9-6-16-31-23)26-17-20-7-2-3-8-21(20)18-28-14-4-1-5-15-28/h2-3,6-13,16H,1,4-5,14-15,17-18H2,(H,26,29)(H,27,30)/p+1