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

Systemtic Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-methyl-5-oxidanyl-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide Openeye Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]benzofuran-3-carboxamide CAS Name: 4-[(4-ethyl-1-piperazin-4-iumyl)methyl]-5-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]-3-benzofurancarboxamide IUPAC Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide Traditional Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]benzofuran-3-carboxamide Formula: C24H27F3N3O3+ MolecularWeight: 462.48469

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=C(C=CC3=C2C(=C(O3)C)C(=O)NC4=CC=CC(=C4)C(F)(F)F)O

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=C(C=CC3=C2C(=C(O3)C)C(=O)NC4=CC=CC(=C4)C(F)(F)F)O

InChI

InChI=1S/C24H26F3N3O3/c1-3-29-9-11-30(12-10-29)14-18-19(31)7-8-20-22(18)21(15(2)33-20)23(32)28-17-6-4-5-16(13-17)24(25,26)27/h4-8,13,31H,3,9-12,14H2,1-2H3,(H,28,32)/p+1