5-chloranyl-3-methyl-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-chloranyl-3-methyl-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-benzofuran-2-carboxamide Openeye Name: 5-chloro-3-methyl-N-[(2R)-2-(p-tolyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzofuran-2-carboxamide CAS Name: 5-chloro-3-methyl-N-[(2R)-2-(4-methylphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-benzofurancarboxamide IUPAC Name: 5-chloro-3-methyl-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-1-benzofuran-2-carboxamide Traditional Name: 5-chloro-3-methyl-N-[(2R)-2-(p-tolyl)-2-pyrrolidin-1-ium-1-yl-ethyl]coumarilamide Formula: C23H26ClN2O2+ MolecularWeight: 397.91774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)C2=C(C3=C(O2)C=CC(=C3)Cl)C)[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNC(=O)C2=C(C3=C(O2)C=CC(=C3)Cl)C)[NH+]4CCCC4

InChI

InChI=1S/C23H25ClN2O2/c1-15-5-7-17(8-6-15)20(26-11-3-4-12-26)14-25-23(27)22-16(2)19-13-18(24)9-10-21(19)28-22/h5-10,13,20H,3-4,11-12,14H2,1-2H3,(H,25,27)/p+1/t20-/m0/s1