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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-5-oxidanyl-1-benzofuran-3-carboxamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-5-hydroxy-2-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzofuran-3-carboxamide CAS Name: N-(3-chloro-2-methylphenyl)-5-hydroxy-2-methyl-4-[(4-methyl-1-piperazin-4-iumyl)methyl]-3-benzofurancarboxamide IUPAC Name: N-(3-chloro-2-methylphenyl)-5-hydroxy-2-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-1-benzofuran-3-carboxamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-5-hydroxy-2-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzofuran-3-carboxamide Formula: C23H27ClN3O3+ MolecularWeight: 428.93178

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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)CN4CC[NH+](CC4)C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C2=C(OC3=C2C(=C(C=C3)O)CN4CC[NH+](CC4)C)C

InChI

InChI=1S/C23H26ClN3O3/c1-14-17(24)5-4-6-18(14)25-23(29)21-15(2)30-20-8-7-19(28)16(22(20)21)13-27-11-9-26(3)10-12-27/h4-8,28H,9-13H2,1-3H3,(H,25,29)/p+1