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

Systemtic Name: N-(4-methoxyphenyl)-2-methyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-5-oxidanyl-1-benzofuran-3-carboxamide Openeye Name: 5-hydroxy-N-(4-methoxyphenyl)-2-methyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzofuran-3-carboxamide CAS Name: 5-hydroxy-N-(4-methoxyphenyl)-2-methyl-4-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-3-benzofurancarboxamide IUPAC Name: 5-hydroxy-N-(4-methoxyphenyl)-2-methyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-benzofuran-3-carboxamide Traditional Name: 5-hydroxy-N-(4-methoxyphenyl)-2-methyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzofuran-3-carboxamide Formula: C23H29N3O4+2 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2C[NH+]3CC[NH+](CC3)C)O)C(=O)NC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2C[NH+]3CC[NH+](CC3)C)O)C(=O)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C23H27N3O4/c1-15-21(23(28)24-16-4-6-17(29-3)7-5-16)22-18(19(27)8-9-20(22)30-15)14-26-12-10-25(2)11-13-26/h4-9,27H,10-14H2,1-3H3,(H,24,28)/p+2