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

Systemtic Name: 2-methyl-5-oxidanyl-N-phenyl-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-phenyl-benzofuran-3-carboxamide CAS Name: 5-hydroxy-2-methyl-N-phenyl-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-phenyl-1-benzofuran-3-carboxamide Traditional Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-hydroxy-2-methyl-N-phenyl-benzofuran-3-carboxamide Formula: C28H30N3O3+ MolecularWeight: 456.5561

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O3/c1-20-26(28(33)29-22-10-6-3-7-11-22)27-23(24(32)12-13-25(27)34-20)19-31-16-14-30(15-17-31)18-21-8-4-2-5-9-21/h2-13,32H,14-19H2,1H3,(H,29,33)/p+1