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

Systemtic Name: 2-methyl-N-(2-methylphenyl)-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-5-oxidanyl-1-benzofuran-3-carboxamide Openeye Name: 5-hydroxy-2-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-N-(o-tolyl)benzofuran-3-carboxamide CAS Name: 5-hydroxy-2-methyl-N-(2-methylphenyl)-4-[(4-methyl-1-piperazin-4-iumyl)methyl]-3-benzofurancarboxamide IUPAC Name: 5-hydroxy-2-methyl-N-(2-methylphenyl)-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-1-benzofuran-3-carboxamide Traditional Name: 5-hydroxy-2-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-N-(o-tolyl)benzofuran-3-carboxamide Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(OC3=C2C(=C(C=C3)O)CN4CC[NH+](CC4)C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(OC3=C2C(=C(C=C3)O)CN4CC[NH+](CC4)C)C

InChI

InChI=1S/C23H27N3O3/c1-15-6-4-5-7-18(15)24-23(28)21-16(2)29-20-9-8-19(27)17(22(20)21)14-26-12-10-25(3)11-13-26/h4-9,27H,10-14H2,1-3H3,(H,24,28)/p+1