N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-methoxy-benzamide

Systemtic Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-methoxy-benzamide Openeye Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-methoxy-benzamide CAS Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-2-methoxybenzamide IUPAC Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-methoxybenzamide Traditional Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-methoxy-benzamide Formula: C21H27FN3O2+ MolecularWeight: 372.456383

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNC(=O)C2=CC=CC=C2OC)C3=CC=C(C=C3)F

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNC(=O)C2=CC=CC=C2OC)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O2/c1-24-11-13-25(14-12-24)19(16-7-9-17(22)10-8-16)15-23-21(26)18-5-3-4-6-20(18)27-2/h3-10,19H,11-15H2,1-2H3,(H,23,26)/p+1/t19-/m1/s1