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

Systemtic Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanimidate Openeye Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[4-(3-nitrophenyl)thiazol-2-yl]ethanimidate CAS Name: 2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-N-[4-(3-nitrophenyl)-2-thiazolyl]ethanimidate IUPAC Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanimidate Traditional Name: N-[4-(3-nitrophenyl)thiazol-2-yl]-2-(4-o-phenetylpiperazin-1-ium-1-yl)acetimidate Formula: C23H25N5O4S MolecularWeight: 467.5407

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C23H25N5O4S/c1-2-32-21-9-4-3-8-20(21)27-12-10-26(11-13-27)15-22(29)25-23-24-19(16-33-23)17-6-5-7-18(14-17)28(30)31/h3-9,14,16H,2,10-13,15H2,1H3,(H,24,25,29)