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

Systemtic Name: [4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone Openeye Name: [4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(5-isopropyl-3-methyl-isoxazol-4-yl)methanone CAS Name: [4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(3-methyl-5-propan-2-yl-4-isoxazolyl)methanone IUPAC Name: [4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone Traditional Name: [4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]-(5-isopropyl-3-methyl-isoxazol-4-yl)methanone Formula: C20H27FN3O3+ MolecularWeight: 376.445083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)F)OC)C(C)C

Isomeric SMILES

CC1=NOC(=C1C(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)F)OC)C(C)C

InChI

InChI=1S/C20H26FN3O3/c1-13(2)19-18(14(3)22-27-19)20(25)24-9-7-23(8-10-24)12-15-11-16(21)5-6-17(15)26-4/h5-6,11,13H,7-10,12H2,1-4H3/p+1