2-[4-(2-azanyl-6-chloranyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)ethanamide

Systemtic Name: 2-[4-(2-azanyl-6-chloranyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)ethanamide Openeye Name: 2-[4-(2-amino-6-chloro-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide CAS Name: 2-[4-(2-amino-6-chloro-4-pyrimidinyl)-1-piperazin-1-iumyl]-N-(2-chlorophenyl)acetamide IUPAC Name: 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide Traditional Name: 2-[4-(2-amino-6-chloro-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide Formula: C16H19Cl2N6O+ MolecularWeight: 382.26766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C3=CC(=NC(=N3)N)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C3=CC(=NC(=N3)N)Cl

InChI

InChI=1S/C16H18Cl2N6O/c17-11-3-1-2-4-12(11)20-15(25)10-23-5-7-24(8-6-23)14-9-13(18)21-16(19)22-14/h1-4,9H,5-8,10H2,(H,20,25)(H2,19,21,22)/p+1