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

Systemtic Name: 4-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-phenyl-piperazin-4-ium-2-one Openeye Name: 4-[[5-methyl-2-(3-methyl-2-thienyl)oxazol-4-yl]methyl]-1-phenyl-piperazin-4-ium-2-one CAS Name: 4-[[5-methyl-2-(3-methyl-2-thiophenyl)-4-oxazolyl]methyl]-1-phenyl-2-piperazin-4-iumone IUPAC Name: 4-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-4-ium-2-one Traditional Name: 4-[[5-methyl-2-(3-methyl-2-thienyl)oxazol-4-yl]methyl]-1-phenyl-piperazin-4-ium-2-one Formula: C20H22N3O2S+ MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2=NC(=C(O2)C)C[NH+]3CCN(C(=O)C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC=C1)C2=NC(=C(O2)C)C[NH+]3CCN(C(=O)C3)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O2S/c1-14-8-11-26-19(14)20-21-17(15(2)25-20)12-22-9-10-23(18(24)13-22)16-6-4-3-5-7-16/h3-8,11H,9-10,12-13H2,1-2H3/p+1