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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCC2=CC(=CC=C2)Cl)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCC2=CC(=CC=C2)Cl)C3=NC=CC=N3

InChI

InChI=1S/C18H22ClN5O/c19-16-4-1-3-15(13-16)5-8-20-17(25)14-23-9-11-24(12-10-23)18-21-6-2-7-22-18/h1-4,6-7,13H,5,8-12,14H2,(H,20,25)/p+1