N-[4-[(2S)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanoyl]phenyl]ethanamide

Systemtic Name: N-[4-[(2S)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanoyl]phenyl]ethanamide Openeye Name: N-[4-[(2S)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propanoyl]phenyl]acetamide CAS Name: N-[4-[(2S)-1-oxo-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]propyl]phenyl]acetamide IUPAC Name: N-[4-[(2S)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanoyl]phenyl]acetamide Traditional Name: N-[4-[(2S)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propanoyl]phenyl]acetamide Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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