[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanone

Systemtic Name: [4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanone Openeye Name: [4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanone CAS Name: [4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-(2-methoxyphenyl)methanone IUPAC Name: [4-[(2-chloro-4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanone Traditional Name: [4-(2-chloro-4-fluoro-benzyl)piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanone Formula: C19H21ClFN2O2+ MolecularWeight: 363.833643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

COC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C19H20ClFN2O2/c1-25-18-5-3-2-4-16(18)19(24)23-10-8-22(9-11-23)13-14-6-7-15(21)12-17(14)20/h2-7,12H,8-11,13H2,1H3/p+1