N-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]-3-methyl-2-oxidanyl-benzamide

Systemtic Name: N-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]-3-methyl-2-oxidanyl-benzamide Openeye Name: N-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]-2-hydroxy-3-methyl-benzamide CAS Name: N-[2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]ethyl]-2-hydroxy-3-methylbenzamide IUPAC Name: N-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]-2-hydroxy-3-methylbenzamide Traditional Name: N-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]-2-hydroxy-3-methyl-benzamide Formula: C20H25FN3O2+ MolecularWeight: 358.429803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C(=O)NCC[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)NCC[NH+]2CCN(CC2)C3=CC=C(C=C3)F

InChI

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