[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(3-fluoranyl-4-methyl-phenyl)methanone

Systemtic Name: [4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(3-fluoranyl-4-methyl-phenyl)methanone Openeye Name: [4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(3-fluoro-4-methyl-phenyl)methanone CAS Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(3-fluoro-4-methylphenyl)methanone IUPAC Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3-fluoro-4-methylphenyl)methanone Traditional Name: [4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]-(3-fluoro-4-methyl-phenyl)methanone Formula: C20H23F2N2O2+ MolecularWeight: 361.405626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)F)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)F)F

InChI

InChI=1S/C20H22F2N2O2/c1-14-3-5-16(12-17(14)21)20(25)24-9-7-23(8-10-24)13-15-4-6-19(26-2)18(22)11-15/h3-6,11-12H,7-10,13H2,1-2H3/p+1