4-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(3-methoxyphenyl)piperazin-4-ium-2-one

Systemtic Name: 4-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(3-methoxyphenyl)piperazin-4-ium-2-one Openeye Name: 4-[[2-(3-furyl)-5-methyl-oxazol-4-yl]methyl]-1-(3-methoxyphenyl)piperazin-4-ium-2-one CAS Name: 4-[[2-(3-furanyl)-5-methyl-4-oxazolyl]methyl]-1-(3-methoxyphenyl)-2-piperazin-4-iumone IUPAC Name: 4-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(3-methoxyphenyl)piperazin-4-ium-2-one Traditional Name: 4-[[2-(3-furyl)-5-methyl-oxazol-4-yl]methyl]-1-(3-methoxyphenyl)piperazin-4-ium-2-one Formula: C20H22N3O4+ MolecularWeight: 368.40638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=COC=C2)C[NH+]3CCN(C(=O)C3)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=C(N=C(O1)C2=COC=C2)C[NH+]3CCN(C(=O)C3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C20H21N3O4/c1-14-18(21-20(27-14)15-6-9-26-13-15)11-22-7-8-23(19(24)12-22)16-4-3-5-17(10-16)25-2/h3-6,9-10,13H,7-8,11-12H2,1-2H3/p+1