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

Systemtic Name: 2-fluoranyl-N-[(6R)-6-methyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Openeye Name: 2-fluoro-N-[(6R)-6-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide CAS Name: 2-fluoro-N-[(6R)-6-methyl-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide IUPAC Name: 2-fluoro-N-[(6R)-6-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Traditional Name: 2-fluoro-N-[(6R)-6-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide Formula: C22H27FN3O2S+ MolecularWeight: 416.532083

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N3CC[NH+](CC3)C)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C(=O)N3CC[NH+](CC3)C)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C22H26FN3O2S/c1-14-7-8-16-18(13-14)29-21(24-20(27)15-5-3-4-6-17(15)23)19(16)22(28)26-11-9-25(2)10-12-26/h3-6,14H,7-13H2,1-2H3,(H,24,27)/p+1/t14-/m1/s1