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

Systemtic Name: N-(3-chloranyl-2-methyl-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-2-methyl-phenyl)-5-hydroxy-2-methyl-benzofuran-3-carboxamide CAS Name: N-(3-chloro-2-methylphenyl)-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-2-methylphenyl)-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide Traditional Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-(3-chloro-2-methyl-phenyl)-5-hydroxy-2-methyl-benzofuran-3-carboxamide Formula: C29H31ClN3O3+ MolecularWeight: 505.02774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C2=C(OC3=C2C(=C(C=C3)O)C[NH+]4CCN(CC4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C2=C(OC3=C2C(=C(C=C3)O)C[NH+]4CCN(CC4)CC5=CC=CC=C5)C

InChI

InChI=1S/C29H30ClN3O3/c1-19-23(30)9-6-10-24(19)31-29(35)27-20(2)36-26-12-11-25(34)22(28(26)27)18-33-15-13-32(14-16-33)17-21-7-4-3-5-8-21/h3-12,34H,13-18H2,1-2H3,(H,31,35)/p+1