N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C18H23ClN5O+ MolecularWeight: 360.86112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN5O/c1-14(15-4-2-5-16(19)12-15)22-17(25)13-23-8-10-24(11-9-23)18-20-6-3-7-21-18/h2-7,12,14H,8-11,13H2,1H3,(H,22,25)/p+1/t14-/m1/s1