5-(4-ethanoylphenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]furan-2-carboxamide

Systemtic Name: 5-(4-ethanoylphenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]furan-2-carboxamide Openeye Name: 5-(4-acetylphenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]furan-2-carboxamide CAS Name: 5-(4-acetylphenyl)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-furancarboxamide IUPAC Name: 5-(4-acetylphenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]furan-2-carboxamide Traditional Name: 5-(4-acetylphenyl)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-2-furamide Formula: C25H27N2O3+ MolecularWeight: 403.49348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

InChI

InChI=1S/C25H26N2O3/c1-18(28)19-8-10-20(11-9-19)23-12-13-24(30-23)25(29)26-16-21-6-2-3-7-22(21)17-27-14-4-5-15-27/h2-3,6-13H,4-5,14-17H2,1H3,(H,26,29)/p+1