(2S)-N-(4-ethanoylphenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(4-ethanoylphenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(4-acetylphenyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-acetylphenyl)-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-acetylphenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(4-acetylphenyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propionamide Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)[NH+]2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)C)[NH+]2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C20H24N4O2/c1-15(20(26)22-18-8-6-17(7-9-18)16(2)25)23-11-13-24(14-12-23)19-5-3-4-10-21-19/h3-10,15H,11-14H2,1-2H3,(H,22,26)/p+1/t15-/m0/s1