2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]ethanamide

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]ethanamide Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]acetamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]acetamide IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]acetamide Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]acetamide Formula: C18H26N5O2S+ MolecularWeight: 376.49634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H25N5O2S/c1-13-16(14(2)25-21-13)11-26-12-18(24)20-15-4-5-17(19-10-15)23-8-6-22(3)7-9-23/h4-5,10H,6-9,11-12H2,1-3H3,(H,20,24)/p+1