N-[[2-(2-fluoranylphenoxy)pyridin-3-yl]methyl]-3-(4-methylpiperazin-4-ium-1-yl)propanamide

Systemtic Name: N-[[2-(2-fluoranylphenoxy)pyridin-3-yl]methyl]-3-(4-methylpiperazin-4-ium-1-yl)propanamide Openeye Name: N-[[2-(2-fluorophenoxy)-3-pyridyl]methyl]-3-(4-methylpiperazin-4-ium-1-yl)propanamide CAS Name: N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-3-(4-methyl-1-piperazin-4-iumyl)propanamide IUPAC Name: N-[[2-(2-fluorophenoxy)pyridin-3-yl]methyl]-3-(4-methylpiperazin-4-ium-1-yl)propanamide Traditional Name: N-[[2-(2-fluorophenoxy)-3-pyridyl]methyl]-3-(4-methylpiperazin-4-ium-1-yl)propionamide Formula: C20H26FN4O2+ MolecularWeight: 373.444443

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCC(=O)NCC2=C(N=CC=C2)OC3=CC=CC=C3F

Isomeric SMILES

C[NH+]1CCN(CC1)CCC(=O)NCC2=C(N=CC=C2)OC3=CC=CC=C3F

InChI

InChI=1S/C20H25FN4O2/c1-24-11-13-25(14-12-24)10-8-19(26)23-15-16-5-4-9-22-20(16)27-18-7-3-2-6-17(18)21/h2-7,9H,8,10-15H2,1H3,(H,23,26)/p+1