N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanimidate

Systemtic Name: N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanimidate Openeye Name: N-(4-phenylthiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanimidate CAS Name: N-(4-phenyl-2-thiazolyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethanimidate IUPAC Name: N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanimidate Traditional Name: N-(4-phenylthiazol-2-yl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetimidate Formula: C19H20N6OS MolecularWeight: 380.4667

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N6OS/c26-17(23-19-22-16(14-27-19)15-5-2-1-3-6-15)13-24-9-11-25(12-10-24)18-20-7-4-8-21-18/h1-8,14H,9-13H2,(H,22,23,26)