N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanimidate

Systemtic Name: N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanimidate Openeye Name: N-[4-(3,4-dichlorophenyl)thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanimidate CAS Name: N-[4-(3,4-dichlorophenyl)-2-thiazolyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethanimidate IUPAC Name: N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanimidate Traditional Name: N-[4-(3,4-dichlorophenyl)thiazol-2-yl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetimidate Formula: C19H18Cl2N6OS MolecularWeight: 449.35682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=NC2=NC(=CS2)C3=CC(=C(C=C3)Cl)Cl)[O-])C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=NC2=NC(=CS2)C3=CC(=C(C=C3)Cl)Cl)[O-])C4=NC=CC=N4

InChI

InChI=1S/C19H18Cl2N6OS/c20-14-3-2-13(10-15(14)21)16-12-29-19(24-16)25-17(28)11-26-6-8-27(9-7-26)18-22-4-1-5-23-18/h1-5,10,12H,6-9,11H2,(H,24,25,28)