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

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-1-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-[(3,4-dimethylphenyl)thio]-1-[4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-[(3,4-dimethylphenyl)thio]-1-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-yl]ethanone Formula: C19H26N3O2S+ MolecularWeight: 360.49364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)N2CC[NH+](CC2)CC3=NOC(=C3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)N2CC[NH+](CC2)CC3=NOC(=C3)C)C

InChI

InChI=1S/C19H25N3O2S/c1-14-4-5-18(10-15(14)2)25-13-19(23)22-8-6-21(7-9-22)12-17-11-16(3)24-20-17/h4-5,10-11H,6-9,12-13H2,1-3H3/p+1