N-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-(3-fluorophenyl)propanamide

Systemtic Name: N-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-(3-fluorophenyl)propanamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-(3-fluorophenyl)propanamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl]-3-(3-fluorophenyl)propanamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-(3-fluorophenyl)propanamide Traditional Name: N-[[2-(4-acetylpiperazino)pyridin-1-ium-3-yl]methyl]-3-(3-fluorophenyl)propionamide Formula: C21H26FN4O2+ MolecularWeight: 385.455143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)CCC3=CC(=CC=C3)F

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)CCC3=CC(=CC=C3)F

InChI

InChI=1S/C21H25FN4O2/c1-16(27)25-10-12-26(13-11-25)21-18(5-3-9-23-21)15-24-20(28)8-7-17-4-2-6-19(22)14-17/h2-6,9,14H,7-8,10-13,15H2,1H3,(H,24,28)/p+1