2-(2-fluoranyl-4-methoxy-phenyl)-5-methyl-4-[[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]-1,3-oxazole

Systemtic Name: 2-(2-fluoranyl-4-methoxy-phenyl)-5-methyl-4-[[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]-1,3-oxazole Openeye Name: 2-(2-fluoro-4-methoxy-phenyl)-5-methyl-4-[[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]oxazole CAS Name: 2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[[4-(6-methyl-2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]oxazole IUPAC Name: 2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]-1,3-oxazole Traditional Name: 2-(2-fluoro-4-methoxy-phenyl)-5-methyl-4-[[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]oxazole Formula: C22H27FN4O2+2 MolecularWeight: 398.473783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=CC=C1)N2CC[NH+](CC2)CC3=C(OC(=N3)C4=C(C=C(C=C4)OC)F)C

Isomeric SMILES

CC1=[NH+]C(=CC=C1)N2CC[NH+](CC2)CC3=C(OC(=N3)C4=C(C=C(C=C4)OC)F)C

InChI

InChI=1S/C22H25FN4O2/c1-15-5-4-6-21(24-15)27-11-9-26(10-12-27)14-20-16(2)29-22(25-20)18-8-7-17(28-3)13-19(18)23/h4-8,13H,9-12,14H2,1-3H3/p+2