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

Systemtic Name: [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridin-3-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Openeye Name: [2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-3-pyridyl]-(4-phenethylpiperazin-4-ium-1-yl)methanone CAS Name: [2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-pyridinyl]-(4-phenethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridin-3-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Traditional Name: [2-[(3,5-dimethylisoxazol-4-yl)methylthio]-3-pyridyl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Formula: C24H29N4O2S+ MolecularWeight: 437.57766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O2S/c1-18-22(19(2)30-26-18)17-31-23-21(9-6-11-25-23)24(29)28-15-13-27(14-16-28)12-10-20-7-4-3-5-8-20/h3-9,11H,10,12-17H2,1-2H3/p+1