2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)ethanimidate

Systemtic Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)ethanimidate Openeye Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-phenylthiazol-2-yl)ethanimidate CAS Name: 2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-N-(4-phenyl-2-thiazolyl)ethanimidate IUPAC Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)ethanimidate Traditional Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-phenylthiazol-2-yl)acetimidate Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2S/c26-18-8-6-17(7-9-18)25-12-10-24(11-13-25)14-20(27)23-21-22-19(15-28-21)16-4-2-1-3-5-16/h1-9,15,26H,10-14H2,(H,22,23,27)