(2S)-N-[2-[(1S)-1-oxidanylethyl]phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-[2-[(1S)-1-oxidanylethyl]phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-[2-[(1S)-1-hydroxyethyl]phenyl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-[2-[(1S)-1-hydroxyethyl]phenyl]-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-[2-[(1S)-1-hydroxyethyl]phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-[2-[(1S)-1-hydroxyethyl]phenyl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propionamide Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1NC(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC=N3)O

Isomeric SMILES

C[C@@H](C1=CC=CC=C1NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC=N3)O

InChI

InChI=1S/C20H26N4O2/c1-15(20(26)22-18-8-4-3-7-17(18)16(2)25)23-11-13-24(14-12-23)19-9-5-6-10-21-19/h3-10,15-16,25H,11-14H2,1-2H3,(H,22,26)/p+1/t15-,16-/m0/s1