(2S)-N-ethyl-N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-ethyl-N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-ethyl-N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-ethyl-N-phenyl-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-ethyl-N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-ethyl-N-phenyl-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C19H26N5O+ MolecularWeight: 340.44264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O/c1-3-24(17-8-5-4-6-9-17)18(25)16(2)22-12-14-23(15-13-22)19-20-10-7-11-21-19/h4-11,16H,3,12-15H2,1-2H3/p+1/t16-/m0/s1