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

Systemtic Name: (2S)-N-(2-cyanoethyl)-N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2-cyanoethyl)-N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(2-cyanoethyl)-N-phenyl-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-cyanoethyl)-N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(2-cyanoethyl)-N-phenyl-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C20H25N6O+ MolecularWeight: 365.4521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N6O/c1-17(19(27)26(12-5-9-21)18-7-3-2-4-8-18)24-13-15-25(16-14-24)20-22-10-6-11-23-20/h2-4,6-8,10-11,17H,5,12-16H2,1H3/p+1/t17-/m0/s1