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

Systemtic Name: 5-fluoranyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 5-fluoro-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzothiophene-2-carboxamide CAS Name: 5-fluoro-N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 5-fluoro-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 5-fluoro-N-[2-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)N2CC[NH+](CC2)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)F

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)F

InChI

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