4-fluoranyl-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 4-fluoranyl-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 4-fluoro-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzothiophene-2-carboxamide CAS Name: 4-fluoro-N-[3-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 4-fluoro-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 4-fluoro-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzothiophene-2-carboxamide Formula: C21H23FN3OS+ MolecularWeight: 384.490223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=CC=C3S2)F)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=CC=C3S2)F)N4CC[NH+](CC4)C

InChI

InChI=1S/C21H22FN3OS/c1-14-12-15(6-7-18(14)25-10-8-24(2)9-11-25)23-21(26)20-13-16-17(22)4-3-5-19(16)27-20/h3-7,12-13H,8-11H2,1-2H3,(H,23,26)/p+1