N-(3-bromophenyl)-2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-bromophenyl)-2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-bromophenyl)-2-[4-[4-cyano-2-(2-furyl)oxazol-5-yl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-bromophenyl)-2-[4-[4-cyano-2-(2-furanyl)-5-oxazolyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-bromophenyl)-2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-bromophenyl)-2-[4-[4-cyano-2-(2-furyl)oxazol-5-yl]piperazin-1-ium-1-yl]acetamide Formula: C20H19BrN5O3+ MolecularWeight: 457.30056

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)Br)C3=C(N=C(O3)C4=CC=CO4)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)Br)C3=C(N=C(O3)C4=CC=CO4)C#N

InChI

InChI=1S/C20H18BrN5O3/c21-14-3-1-4-15(11-14)23-18(27)13-25-6-8-26(9-7-25)20-16(12-22)24-19(29-20)17-5-2-10-28-17/h1-5,10-11H,6-9,13H2,(H,23,27)/p+1