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

Systemtic Name: 2-methyl-N-(2-methylphenyl)-5-oxidanyl-4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-1-benzofuran-3-carboxamide Openeye Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-hydroxy-2-methyl-N-(o-tolyl)benzofuran-3-carboxamide CAS Name: 5-hydroxy-2-methyl-N-(2-methylphenyl)-4-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-3-benzofurancarboxamide IUPAC Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide Traditional Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-hydroxy-2-methyl-N-(o-tolyl)benzofuran-3-carboxamide Formula: C29H32N3O3+ MolecularWeight: 470.58268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(OC3=C2C(=C(C=C3)O)C[NH+]4CCN(CC4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(OC3=C2C(=C(C=C3)O)C[NH+]4CCN(CC4)CC5=CC=CC=C5)C

InChI

InChI=1S/C29H31N3O3/c1-20-8-6-7-11-24(20)30-29(34)27-21(2)35-26-13-12-25(33)23(28(26)27)19-32-16-14-31(15-17-32)18-22-9-4-3-5-10-22/h3-13,33H,14-19H2,1-2H3,(H,30,34)/p+1