3-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-benzofuran-2-carboxamide

Systemtic Name: 3-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-benzofuran-2-carboxamide Openeye Name: 3-methyl-N-[(2S)-2-(5-methyl-2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzofuran-2-carboxamide CAS Name: 3-methyl-N-[(2S)-2-(5-methyl-2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-benzofurancarboxamide IUPAC Name: 3-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-1-benzofuran-2-carboxamide Traditional Name: 3-methyl-N-[(2S)-2-(5-methyl-2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]coumarilamide Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CNC(=O)C2=C(C3=CC=CC=C3O2)C)[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(O1)[C@H](CNC(=O)C2=C(C3=CC=CC=C3O2)C)[NH+]4CCCC4

InChI

InChI=1S/C21H24N2O3/c1-14-9-10-19(25-14)17(23-11-5-6-12-23)13-22-21(24)20-15(2)16-7-3-4-8-18(16)26-20/h3-4,7-10,17H,5-6,11-13H2,1-2H3,(H,22,24)/p+1/t17-/m0/s1