N-(5-fluoranyl-2-methyl-phenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-fluoranyl-2-methyl-phenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-fluoro-2-methyl-phenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-fluoro-2-methylphenyl)-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-fluoro-2-methylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-fluoro-2-methyl-phenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C20H25FN3O2+ MolecularWeight: 358.429803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC

Isomeric SMILES

CC1=C(C=C(C=C1)F)NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C20H24FN3O2/c1-15-6-7-16(21)12-19(15)22-20(25)14-23-8-10-24(11-9-23)17-4-3-5-18(13-17)26-2/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,25)/p+1