N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-2-fluoranyl-4-methoxy-benzamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-2-fluoranyl-4-methoxy-benzamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-2-fluoro-4-methoxy-benzamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylphenyl]-2-fluoro-4-methoxybenzamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylphenyl]-2-fluoro-4-methoxybenzamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-2-fluoro-4-methoxy-benzamide Formula: C21H27FN3O2+ MolecularWeight: 372.456383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O2/c1-4-24-9-11-25(12-10-24)20-8-5-16(13-15(20)2)23-21(26)18-7-6-17(27-3)14-19(18)22/h5-8,13-14H,4,9-12H2,1-3H3,(H,23,26)/p+1