3-(4-ethanoyl-4-pyridin-2-yl-piperazin-4-ium-1-yl)-N-phenyl-propanamide

Systemtic Name: 3-(4-ethanoyl-4-pyridin-2-yl-piperazin-4-ium-1-yl)-N-phenyl-propanamide Openeye Name: 3-[4-acetyl-4-(2-pyridyl)piperazin-4-ium-1-yl]-N-phenyl-propanamide CAS Name: 3-[4-acetyl-4-(2-pyridinyl)-1-piperazin-4-iumyl]-N-phenylpropanamide IUPAC Name: 3-(4-acetyl-4-pyridin-2-ylpiperazin-4-ium-1-yl)-N-phenylpropanamide Traditional Name: 3-[4-acetyl-4-(2-pyridyl)piperazin-4-ium-1-yl]-N-phenyl-propionamide Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[N+]1(CCN(CC1)CCC(=O)NC2=CC=CC=C2)C3=CC=CC=N3

Isomeric SMILES

CC(=O)[N+]1(CCN(CC1)CCC(=O)NC2=CC=CC=C2)C3=CC=CC=N3

InChI

InChI=1S/C20H24N4O2/c1-17(25)24(19-9-5-6-11-21-19)15-13-23(14-16-24)12-10-20(26)22-18-7-3-2-4-8-18/h2-9,11H,10,12-16H2,1H3/p+1