[4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]-(2-fluorophenyl)methanone

Systemtic Name: [4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]-(2-fluorophenyl)methanone Openeye Name: (2-fluorophenyl)-[4-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (2-fluorophenyl)-[4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2-fluorophenyl)-[4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2-fluorophenyl)-[4-(4-hydroxy-3,5-dimethoxy-benzyl)piperazin-4-ium-1-yl]methanone Formula: C20H24FN2O4+ MolecularWeight: 375.413963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3F

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H23FN2O4/c1-26-17-11-14(12-18(27-2)19(17)24)13-22-7-9-23(10-8-22)20(25)15-5-3-4-6-16(15)21/h3-6,11-12,24H,7-10,13H2,1-2H3/p+1