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

Systemtic Name: N-[(3-fluoranyl-4-methyl-phenyl)methyl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(3-fluoro-4-methyl-phenyl)methyl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluoro-4-methyl-benzyl)-2-[4-(4-hydroxyphenyl)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)CNC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O)F

Isomeric SMILES

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

InChI

InChI=1S/C20H24FN3O2/c1-15-2-3-16(12-19(15)21)13-22-20(26)14-23-8-10-24(11-9-23)17-4-6-18(25)7-5-17/h2-7,12,25H,8-11,13-14H2,1H3,(H,22,26)/p+1