(2R)-2-(4-chlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: (2R)-2-(4-chlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: (2R)-2-(4-chlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: (2R)-2-(4-chlorophenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: (2R)-2-(4-chlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: (2R)-2-(4-chlorophenyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C16H19ClN5O+ MolecularWeight: 332.80796

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=C(C=C2)Cl)C(=O)N)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CC=C(C=C2)Cl)C(=O)N)C3=NC=CC=N3

InChI

InChI=1S/C16H18ClN5O/c17-13-4-2-12(3-5-13)14(15(18)23)21-8-10-22(11-9-21)16-19-6-1-7-20-16/h1-7,14H,8-11H2,(H2,18,23)/p+1/t14-/m1/s1