[4-[(4-methylpiperazin-4-ium-1-yl)methyl]-5-oxidanyl-1-benzofuran-3-yl]-phenyl-methanone

Systemtic Name: [4-[(4-methylpiperazin-4-ium-1-yl)methyl]-5-oxidanyl-1-benzofuran-3-yl]-phenyl-methanone Openeye Name: [5-hydroxy-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzofuran-3-yl]-phenyl-methanone CAS Name: [5-hydroxy-4-[(4-methyl-1-piperazin-4-iumyl)methyl]-3-benzofuranyl]-phenylmethanone IUPAC Name: [5-hydroxy-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-1-benzofuran-3-yl]-phenylmethanone Traditional Name: [5-hydroxy-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzofuran-3-yl]-phenyl-methanone Formula: C21H23N2O3+ MolecularWeight: 351.41892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+]1CCN(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+1