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

Systemtic Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanimidate Openeye Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[4-(3-nitrophenyl)thiazol-2-yl]ethanimidate CAS Name: 2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-N-[4-(3-nitrophenyl)-2-thiazolyl]ethanimidate IUPAC Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanimidate Traditional Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[4-(3-nitrophenyl)thiazol-2-yl]acetimidate Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O4S/c27-18-6-4-16(5-7-18)25-10-8-24(9-11-25)13-20(28)23-21-22-19(14-31-21)15-2-1-3-17(12-15)26(29)30/h1-7,12,14,27H,8-11,13H2,(H,22,23,28)