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

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

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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)NCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2C[NH+]3CCN(CC3)CC4=CC=CC=C4)O)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C29H31N3O3/c1-21-27(29(34)30-18-22-8-4-2-5-9-22)28-24(25(33)12-13-26(28)35-21)20-32-16-14-31(15-17-32)19-23-10-6-3-7-11-23/h2-13,33H,14-20H2,1H3,(H,30,34)/p+1