N-(2,6-diethylphenyl)-2-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-5-oxidanyl-1-benzofuran-3-carboxamide

Systemtic Name: N-(2,6-diethylphenyl)-2-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-5-oxidanyl-1-benzofuran-3-carboxamide Openeye Name: N-(2,6-diethylphenyl)-5-hydroxy-2-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzofuran-3-carboxamide CAS Name: N-(2,6-diethylphenyl)-5-hydroxy-2-methyl-4-[(4-methyl-1-piperazin-4-iumyl)methyl]-3-benzofurancarboxamide IUPAC Name: N-(2,6-diethylphenyl)-5-hydroxy-2-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-1-benzofuran-3-carboxamide Traditional Name: N-(2,6-diethylphenyl)-5-hydroxy-2-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzofuran-3-carboxamide Formula: C26H34N3O3+ MolecularWeight: 436.56646

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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)CN4CC[NH+](CC4)C)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C(OC3=C2C(=C(C=C3)O)CN4CC[NH+](CC4)C)C

InChI

InChI=1S/C26H33N3O3/c1-5-18-8-7-9-19(6-2)25(18)27-26(31)23-17(3)32-22-11-10-21(30)20(24(22)23)16-29-14-12-28(4)13-15-29/h7-11,30H,5-6,12-16H2,1-4H3,(H,27,31)/p+1