2-[(4-fluoranylphenoxy)methyl]-4-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1,3-thiazole-5-carboxamide

Systemtic Name: 2-[(4-fluoranylphenoxy)methyl]-4-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1,3-thiazole-5-carboxamide Openeye Name: 2-[(4-fluorophenoxy)methyl]-4-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]thiazole-5-carboxamide CAS Name: 2-[(4-fluorophenoxy)methyl]-4-methyl-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-5-thiazolecarboxamide IUPAC Name: 2-[(4-fluorophenoxy)methyl]-4-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1,3-thiazole-5-carboxamide Traditional Name: 2-[(4-fluorophenoxy)methyl]-4-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]thiazole-5-carboxamide Formula: C22H25FN5O2S+ MolecularWeight: 442.529603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)COC2=CC=C(C=C2)F)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(SC(=N1)COC2=CC=C(C=C2)F)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C

InChI

InChI=1S/C22H24FN5O2S/c1-15-21(31-20(25-15)14-30-18-6-3-16(23)4-7-18)22(29)26-17-5-8-19(24-13-17)28-11-9-27(2)10-12-28/h3-8,13H,9-12,14H2,1-2H3,(H,26,29)/p+1