N-(2,4-dimethylphenyl)-2-methyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-5-oxidanyl-1-benzofuran-3-carboxamide

Systemtic Name: N-(2,4-dimethylphenyl)-2-methyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-5-oxidanyl-1-benzofuran-3-carboxamide Openeye Name: N-(2,4-dimethylphenyl)-5-hydroxy-2-methyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzofuran-3-carboxamide CAS Name: N-(2,4-dimethylphenyl)-5-hydroxy-2-methyl-4-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-3-benzofurancarboxamide IUPAC Name: N-(2,4-dimethylphenyl)-5-hydroxy-2-methyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-benzofuran-3-carboxamide Traditional Name: N-(2,4-dimethylphenyl)-5-hydroxy-2-methyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzofuran-3-carboxamide Formula: C24H31N3O3+2 MolecularWeight: 409.52124

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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+]4CC[NH+](CC4)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(OC3=C2C(=C(C=C3)O)C[NH+]4CC[NH+](CC4)C)C)C

InChI

InChI=1S/C24H29N3O3/c1-15-5-6-19(16(2)13-15)25-24(29)22-17(3)30-21-8-7-20(28)18(23(21)22)14-27-11-9-26(4)10-12-27/h5-8,13,28H,9-12,14H2,1-4H3,(H,25,29)/p+2