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

Systemtic Name: 2-methyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-5-oxidanyl-N-(phenylmethyl)-1-benzofuran-3-carboxamide Openeye Name: N-benzyl-5-hydroxy-2-methyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzofuran-3-carboxamide CAS Name: 5-hydroxy-2-methyl-4-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-N-(phenylmethyl)-3-benzofurancarboxamide IUPAC Name: N-benzyl-5-hydroxy-2-methyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-benzofuran-3-carboxamide Traditional Name: N-benzyl-5-hydroxy-2-methyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzofuran-3-carboxamide Formula: C23H29N3O3+2 MolecularWeight: 395.49466

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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)NCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2C[NH+]3CC[NH+](CC3)C)O)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O3/c1-16-21(23(28)24-14-17-6-4-3-5-7-17)22-18(19(27)8-9-20(22)29-16)15-26-12-10-25(2)11-13-26/h3-9,27H,10-15H2,1-2H3,(H,24,28)/p+2