N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide

Systemtic Name: N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide Openeye Name: N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-2,3-dihydrobenzofuran-5-carboxamide CAS Name: N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]-2,3-dihydrobenzofuran-5-carboxamide IUPAC Name: N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide Traditional Name: N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]coumaran-5-carboxamide Formula: C20H23N2O2+ MolecularWeight: 323.40882

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCC4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C20H22N2O2/c23-20(17-5-8-19-16(13-17)9-12-24-19)21-18-6-3-15(4-7-18)14-22-10-1-2-11-22/h3-8,13H,1-2,9-12,14H2,(H,21,23)/p+1