4-[[2-(6-chloranyl-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-phenyl-piperazin-4-ium-2-one

Systemtic Name: 4-[[2-(6-chloranyl-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-phenyl-piperazin-4-ium-2-one Openeye Name: 4-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-oxazol-4-yl]methyl]-1-phenyl-piperazin-4-ium-2-one CAS Name: 4-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-oxazolyl]methyl]-1-phenyl-2-piperazin-4-iumone IUPAC Name: 4-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-4-ium-2-one Traditional Name: 4-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-oxazol-4-yl]methyl]-1-phenyl-piperazin-4-ium-2-one Formula: C22H21ClN3O4+ MolecularWeight: 426.87284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC3=C(C=C2Cl)OCO3)C[NH+]4CCN(C(=O)C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(N=C(O1)C2=CC3=C(C=C2Cl)OCO3)C[NH+]4CCN(C(=O)C4)C5=CC=CC=C5

InChI

InChI=1S/C22H20ClN3O4/c1-14-18(11-25-7-8-26(21(27)12-25)15-5-3-2-4-6-15)24-22(30-14)16-9-19-20(10-17(16)23)29-13-28-19/h2-6,9-10H,7-8,11-13H2,1H3/p+1