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

Systemtic Name: N-(2,4-dimethylphenyl)-4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-5-oxidanyl-1-benzofuran-3-carboxamide Openeye Name: N-(2,4-dimethylphenyl)-4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-5-hydroxy-2-methyl-benzofuran-3-carboxamide CAS Name: N-(2,4-dimethylphenyl)-4-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-5-hydroxy-2-methyl-3-benzofurancarboxamide IUPAC Name: N-(2,4-dimethylphenyl)-4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide Traditional Name: N-(2,4-dimethylphenyl)-4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-5-hydroxy-2-methyl-benzofuran-3-carboxamide Formula: C25H33N3O3+2 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2C(=C(O3)C)C(=O)NC4=C(C=C(C=C4)C)C)O

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2C(=C(O3)C)C(=O)NC4=C(C=C(C=C4)C)C)O

InChI

InChI=1S/C25H31N3O3/c1-5-27-10-12-28(13-11-27)15-19-21(29)8-9-22-24(19)23(18(4)31-22)25(30)26-20-7-6-16(2)14-17(20)3/h6-9,14,29H,5,10-13,15H2,1-4H3,(H,26,30)/p+2