[4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-5-oxidanyl-1-benzofuran-3-yl]-phenyl-methanone

Systemtic Name: [4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-5-oxidanyl-1-benzofuran-3-yl]-phenyl-methanone Openeye Name: [5-hydroxy-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzofuran-3-yl]-phenyl-methanone CAS Name: [5-hydroxy-4-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-3-benzofuranyl]-phenylmethanone IUPAC Name: [5-hydroxy-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-benzofuran-3-yl]-phenylmethanone Traditional Name: [5-hydroxy-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzofuran-3-yl]-phenyl-methanone Formula: C21H24N2O3+2 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2C(=CO3)C(=O)C4=CC=CC=C4)O

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2C(=CO3)C(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C21H22N2O3/c1-22-9-11-23(12-10-22)13-16-18(24)7-8-19-20(16)17(14-26-19)21(25)15-5-3-2-4-6-15/h2-8,14,24H,9-13H2,1H3/p+2