N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-5-fluoranyl-3-methyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-5-fluoranyl-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-5-fluoro-3-methyl-benzofuran-2-carboxamide CAS Name: N-[(2S)-2-(4-chlorophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-5-fluoro-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-5-fluoro-3-methyl-coumarilamide Formula: C23H26ClFN3O2+ MolecularWeight: 430.922843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)F)C(=O)NCC(C3=CC=C(C=C3)Cl)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)F)C(=O)NC[C@H](C3=CC=C(C=C3)Cl)N4CC[NH+](CC4)C

InChI

InChI=1S/C23H25ClFN3O2/c1-15-19-13-18(25)7-8-21(19)30-22(15)23(29)26-14-20(16-3-5-17(24)6-4-16)28-11-9-27(2)10-12-28/h3-8,13,20H,9-12,14H2,1-2H3,(H,26,29)/p+1/t20-/m1/s1