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

Systemtic Name: 1-[(3-methoxyphenyl)methyl]-4-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-4-ium-2-one Openeye Name: 1-[(3-methoxyphenyl)methyl]-4-[[5-methyl-2-(4-methylsulfanylphenyl)oxazol-4-yl]methyl]piperazin-4-ium-2-one CAS Name: 1-[(3-methoxyphenyl)methyl]-4-[[5-methyl-2-[4-(methylthio)phenyl]-4-oxazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: 1-[(3-methoxyphenyl)methyl]-4-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-4-ium-2-one Traditional Name: 1-m-anisyl-4-[[5-methyl-2-[4-(methylthio)phenyl]oxazol-4-yl]methyl]piperazin-4-ium-2-one Formula: C24H28N3O3S+ MolecularWeight: 438.56242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=C(C=C2)SC)C[NH+]3CCN(C(=O)C3)CC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)SC)C[NH+]3CCN(C(=O)C3)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C24H27N3O3S/c1-17-22(25-24(30-17)19-7-9-21(31-3)10-8-19)15-26-11-12-27(23(28)16-26)14-18-5-4-6-20(13-18)29-2/h4-10,13H,11-12,14-16H2,1-3H3/p+1