[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-(4-phenethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Openeye Name: [2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]phenyl]-(4-phenethylpiperazin-4-ium-1-yl)methanone CAS Name: [2-[(3,5-dimethyl-4-isoxazolyl)methylthio]phenyl]-(4-phenethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Traditional Name: [2-[(3,5-dimethylisoxazol-4-yl)methylthio]phenyl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Formula: C25H30N3O2S+ MolecularWeight: 436.5896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2S/c1-19-23(20(2)30-26-19)18-31-24-11-7-6-10-22(24)25(29)28-16-14-27(15-17-28)13-12-21-8-4-3-5-9-21/h3-11H,12-18H2,1-2H3/p+1