N-(2,6-diethylphenyl)-2-methyl-5-oxidanyl-4-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxamide

Systemtic Name: N-(2,6-diethylphenyl)-2-methyl-5-oxidanyl-4-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxamide Openeye Name: N-(2,6-diethylphenyl)-5-hydroxy-2-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-3-carboxamide CAS Name: N-(2,6-diethylphenyl)-5-hydroxy-2-methyl-4-(1-pyrrolidin-1-iumylmethyl)-3-benzofurancarboxamide IUPAC Name: N-(2,6-diethylphenyl)-5-hydroxy-2-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxamide Traditional Name: N-(2,6-diethylphenyl)-5-hydroxy-2-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-3-carboxamide Formula: C25H31N2O3+ MolecularWeight: 407.52524

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C(OC3=C2C(=C(C=C3)O)C[NH+]4CCCC4)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C(OC3=C2C(=C(C=C3)O)C[NH+]4CCCC4)C

InChI

InChI=1S/C25H30N2O3/c1-4-17-9-8-10-18(5-2)24(17)26-25(29)22-16(3)30-21-12-11-20(28)19(23(21)22)15-27-13-6-7-14-27/h8-12,28H,4-7,13-15H2,1-3H3,(H,26,29)/p+1