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

Systemtic Name: 2-[(4-fluoranylphenoxy)methyl]-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[(4-fluorophenoxy)methyl]-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]thiazole-4-carboxamide CAS Name: 2-[(4-fluorophenoxy)methyl]-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-4-thiazolecarboxamide IUPAC Name: 2-[(4-fluorophenoxy)methyl]-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[(4-fluorophenoxy)methyl]-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]thiazole-4-carboxamide Formula: C21H23FN5O2S+ MolecularWeight: 428.503023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CSC(=N3)COC4=CC=C(C=C4)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CSC(=N3)COC4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN5O2S/c1-26-8-10-27(11-9-26)19-7-4-16(12-23-19)24-21(28)18-14-30-20(25-18)13-29-17-5-2-15(22)3-6-17/h2-7,12,14H,8-11,13H2,1H3,(H,24,28)/p+1