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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-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-(3-chloro-4-methoxy-phenyl)-5-hydroxy-2-methyl-benzofuran-3-carboxamide CAS Name: N-(3-chloro-4-methoxyphenyl)-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-(3-chloro-4-methoxyphenyl)-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide Traditional Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-(3-chloro-4-methoxy-phenyl)-5-hydroxy-2-methyl-benzofuran-3-carboxamide Formula: C29H31ClN3O4+ MolecularWeight: 521.02714

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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)OC)Cl

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)OC)Cl

InChI

InChI=1S/C29H30ClN3O4/c1-19-27(29(35)31-21-8-10-25(36-2)23(30)16-21)28-22(24(34)9-11-26(28)37-19)18-33-14-12-32(13-15-33)17-20-6-4-3-5-7-20/h3-11,16,34H,12-15,17-18H2,1-2H3,(H,31,35)/p+1