3-fluoranyl-N-[(1S,2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-yl-propan-2-yl]benzamide

Systemtic Name: 3-fluoranyl-N-[(1S,2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-yl-propan-2-yl]benzamide Openeye Name: 3-fluoro-N-[(1S,2S)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]benzamide CAS Name: 3-fluoro-N-[(1S,2S)-1-(4-methyl-1-piperazin-4-iumyl)-1-thiophen-2-ylpropan-2-yl]benzamide IUPAC Name: 3-fluoro-N-[(1S,2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide Traditional Name: 3-fluoro-N-[(1S,2S)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]benzamide Formula: C19H25FN3OS+ MolecularWeight: 362.484703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)N2CC[NH+](CC2)C)NC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

C[C@@H]([C@@H](C1=CC=CS1)N2CC[NH+](CC2)C)NC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C19H24FN3OS/c1-14(21-19(24)15-5-3-6-16(20)13-15)18(17-7-4-12-25-17)23-10-8-22(2)9-11-23/h3-7,12-14,18H,8-11H2,1-2H3,(H,21,24)/p+1/t14-,18-/m0/s1