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

Systemtic Name: N-(2,4-dimethylphenyl)-2-methyl-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]-N-(2,4-dimethylphenyl)-5-hydroxy-2-methyl-benzofuran-3-carboxamide CAS Name: N-(2,4-dimethylphenyl)-5-hydroxy-2-methyl-4-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-3-benzofurancarboxamide IUPAC Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-(2,4-dimethylphenyl)-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide Traditional Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-(2,4-dimethylphenyl)-5-hydroxy-2-methyl-benzofuran-3-carboxamide Formula: C30H34N3O3+ MolecularWeight: 484.60926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(OC3=C2C(=C(C=C3)O)C[NH+]4CCN(CC4)CC5=CC=CC=C5)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(OC3=C2C(=C(C=C3)O)C[NH+]4CCN(CC4)CC5=CC=CC=C5)C)C

InChI

InChI=1S/C30H33N3O3/c1-20-9-10-25(21(2)17-20)31-30(35)28-22(3)36-27-12-11-26(34)24(29(27)28)19-33-15-13-32(14-16-33)18-23-7-5-4-6-8-23/h4-12,17,34H,13-16,18-19H2,1-3H3,(H,31,35)/p+1