N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]ethanimidate

Systemtic Name: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]ethanimidate Openeye Name: N-[4-(4-bromophenyl)thiazol-2-yl]-2-[4-(2-furylmethyl)piperazin-1-ium-1-yl]ethanimidate CAS Name: N-[4-(4-bromophenyl)-2-thiazolyl]-2-[4-(2-furanylmethyl)-1-piperazin-1-iumyl]ethanimidate IUPAC Name: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]ethanimidate Traditional Name: N-[4-(4-bromophenyl)thiazol-2-yl]-2-[4-(2-furfuryl)piperazin-1-ium-1-yl]acetimidate Formula: C20H21BrN4O2S MolecularWeight: 461.37534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=NC2=NC(=CS2)C3=CC=C(C=C3)Br)[O-])CC4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1CC(=NC2=NC(=CS2)C3=CC=C(C=C3)Br)[O-])CC4=CC=CO4

InChI

InChI=1S/C20H21BrN4O2S/c21-16-5-3-15(4-6-16)18-14-28-20(22-18)23-19(26)13-25-9-7-24(8-10-25)12-17-2-1-11-27-17/h1-6,11,14H,7-10,12-13H2,(H,22,23,26)