2-methyl-5-oxidanyl-4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-N-(4-propan-2-ylphenyl)-1-benzofuran-3-carboxamide

Systemtic Name: 2-methyl-5-oxidanyl-4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-N-(4-propan-2-ylphenyl)-1-benzofuran-3-carboxamide Openeye Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-hydroxy-N-(4-isopropylphenyl)-2-methyl-benzofuran-3-carboxamide CAS Name: 5-hydroxy-2-methyl-4-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-N-(4-propan-2-ylphenyl)-3-benzofurancarboxamide IUPAC Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-hydroxy-2-methyl-N-(4-propan-2-ylphenyl)-1-benzofuran-3-carboxamide Traditional Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-hydroxy-2-methyl-N-p-cumenyl-benzofuran-3-carboxamide Formula: C31H36N3O3+ MolecularWeight: 498.63584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2C[NH+]3CCN(CC3)CC4=CC=CC=C4)O)C(=O)NC5=CC=C(C=C5)C(C)C

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2C[NH+]3CCN(CC3)CC4=CC=CC=C4)O)C(=O)NC5=CC=C(C=C5)C(C)C

InChI

InChI=1S/C31H35N3O3/c1-21(2)24-9-11-25(12-10-24)32-31(36)29-22(3)37-28-14-13-27(35)26(30(28)29)20-34-17-15-33(16-18-34)19-23-7-5-4-6-8-23/h4-14,21,35H,15-20H2,1-3H3,(H,32,36)/p+1