N-[3-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4,5-dimethyl-thiophen-2-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[3-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4,5-dimethyl-thiophen-2-yl]-2-fluoranyl-benzamide Openeye Name: N-[3-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4,5-dimethyl-2-thienyl]-2-fluoro-benzamide CAS Name: N-[3-[(4-ethyl-1-piperazin-1-iumyl)methyl]-4,5-dimethyl-2-thiophenyl]-2-fluorobenzamide IUPAC Name: N-[3-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4,5-dimethylthiophen-2-yl]-2-fluorobenzamide Traditional Name: N-[3-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4,5-dimethyl-2-thienyl]-2-fluoro-benzamide Formula: C20H27FN3OS+ MolecularWeight: 376.511283

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC2=C(SC(=C2C)C)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCN1CC[NH+](CC1)CC2=C(SC(=C2C)C)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H26FN3OS/c1-4-23-9-11-24(12-10-23)13-17-14(2)15(3)26-20(17)22-19(25)16-7-5-6-8-18(16)21/h5-8H,4,9-13H2,1-3H3,(H,22,25)/p+1