(2R)-N-(3-chlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(3-chlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(3-chlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(3-chlorophenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(3-chlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(3-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(=CC=C1)Cl)[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN5O/c1-13(16(24)21-15-5-2-4-14(18)12-15)22-8-10-23(11-9-22)17-19-6-3-7-20-17/h2-7,12-13H,8-11H2,1H3,(H,21,24)/p+1/t13-/m1/s1