[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

Systemtic Name: [4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone Openeye Name: [4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(5-methylisoxazol-3-yl)methanone CAS Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(5-methyl-3-isoxazolyl)methanone IUPAC Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone Traditional Name: [4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]-(5-methylisoxazol-3-yl)methanone Formula: C17H21FN3O3+ MolecularWeight: 334.365343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC1=CC(=NO1)C(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C17H20FN3O3/c1-12-9-15(19-24-12)17(22)21-7-5-20(6-8-21)11-13-3-4-16(23-2)14(18)10-13/h3-4,9-10H,5-8,11H2,1-2H3/p+1