(3-bromanyl-4-methoxy-phenyl)-(3-fluoranyl-4-piperazin-4-ium-1-yl-phenyl)methanone

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)-(3-fluoranyl-4-piperazin-4-ium-1-yl-phenyl)methanone Openeye Name: (3-bromo-4-methoxy-phenyl)-(3-fluoro-4-piperazin-4-ium-1-yl-phenyl)methanone CAS Name: (3-bromo-4-methoxyphenyl)-[3-fluoro-4-(1-piperazin-4-iumyl)phenyl]methanone IUPAC Name: (3-bromo-4-methoxyphenyl)-(3-fluoro-4-piperazin-4-ium-1-ylphenyl)methanone Traditional Name: (3-bromo-4-methoxy-phenyl)-(3-fluoro-4-piperazin-4-ium-1-yl-phenyl)methanone Formula: C18H19BrFN2O2+ MolecularWeight: 394.258063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2=CC(=C(C=C2)N3CC[NH2+]CC3)F)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C2=CC(=C(C=C2)N3CC[NH2+]CC3)F)Br

InChI

InChI=1S/C18H18BrFN2O2/c1-24-17-5-3-12(10-14(17)19)18(23)13-2-4-16(15(20)11-13)22-8-6-21-7-9-22/h2-5,10-11,21H,6-9H2,1H3/p+1