4-(azepan-1-ium-1-ylmethyl)-N-(2,4-dimethylphenyl)-2-methyl-5-oxidanyl-1-benzofuran-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(OC3=C2C(=C(C=C3)O)C[NH+]4CCCCCC4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(OC3=C2C(=C(C=C3)O)C[NH+]4CCCCCC4)C)C

InChI

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