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

Systemtic Name: 3-methyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide Openeye Name: 3-methyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzofuran-2-carboxamide CAS Name: 3-methyl-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-benzofurancarboxamide IUPAC Name: 3-methyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide Traditional Name: 3-methyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]coumarilamide Formula: C22H25N2O2+ MolecularWeight: 349.4461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C22H24N2O2/c1-16-19-6-2-3-7-20(19)26-21(16)22(25)23-14-17-8-10-18(11-9-17)15-24-12-4-5-13-24/h2-3,6-11H,4-5,12-15H2,1H3,(H,23,25)/p+1