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

Systemtic Name: 1-(3,5-dimethylphenyl)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-4-ium-2-one Openeye Name: 1-(3,5-dimethylphenyl)-4-[[5-methyl-2-(3-thienyl)oxazol-4-yl]methyl]piperazin-4-ium-2-one CAS Name: 1-(3,5-dimethylphenyl)-4-[[5-methyl-2-(3-thiophenyl)-4-oxazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: 1-(3,5-dimethylphenyl)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-4-ium-2-one Traditional Name: 1-(3,5-dimethylphenyl)-4-[[5-methyl-2-(3-thienyl)oxazol-4-yl]methyl]piperazin-4-ium-2-one Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2CC[NH+](CC2=O)CC3=C(OC(=N3)C4=CSC=C4)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2CC[NH+](CC2=O)CC3=C(OC(=N3)C4=CSC=C4)C)C

InChI

InChI=1S/C21H23N3O2S/c1-14-8-15(2)10-18(9-14)24-6-5-23(12-20(24)25)11-19-16(3)26-21(22-19)17-4-7-27-13-17/h4,7-10,13H,5-6,11-12H2,1-3H3/p+1