4-fluoranyl-N-[3-[(4-methylpiperazin-4-ium-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide

Systemtic Name: 4-fluoranyl-N-[3-[(4-methylpiperazin-4-ium-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Openeye Name: 4-fluoro-N-[3-[(4-methylpiperazin-4-ium-1-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide CAS Name: 4-fluoro-N-[3-[(4-methyl-1-piperazin-4-iumyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide IUPAC Name: 4-fluoro-N-[3-[(4-methylpiperazin-4-ium-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Traditional Name: 4-fluoro-N-[3-[(4-methylpiperazin-4-ium-1-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide Formula: C21H27FN3OS+ MolecularWeight: 388.521983

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=C(SC3=C2CCCC3)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=C(SC3=C2CCCC3)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H26FN3OS/c1-24-10-12-25(13-11-24)14-18-17-4-2-3-5-19(17)27-21(18)23-20(26)15-6-8-16(22)9-7-15/h6-9H,2-5,10-14H2,1H3,(H,23,26)/p+1