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

Systemtic Name: (2S)-N-(4-chlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(4-chlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(4-chlorophenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-chlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(4-chlorophenyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C17H21ClN5O+ MolecularWeight: 346.83454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN5O/c1-13(16(24)21-15-5-3-14(18)4-6-15)22-9-11-23(12-10-22)17-19-7-2-8-20-17/h2-8,13H,9-12H2,1H3,(H,21,24)/p+1/t13-/m0/s1