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

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C20H29N4O2S+ MolecularWeight: 389.53486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)CSCC3=C(ON=C3C)C

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)CSCC3=C(ON=C3C)C

InChI

InChI=1S/C20H28N4O2S/c1-14-11-17(24-9-7-23(4)8-10-24)5-6-19(14)21-20(25)13-27-12-18-15(2)22-26-16(18)3/h5-6,11H,7-10,12-13H2,1-4H3,(H,21,25)/p+1