2-[4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]phenyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C21H28N5O3S+ MolecularWeight: 430.54372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)CSC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CC1=NOC(=N1)CSC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C21H27N5O3S/c1-16-22-19(29-23-16)15-30-18-6-4-17(5-7-18)21(28)26-12-10-24(11-13-26)14-20(27)25-8-2-3-9-25/h4-7H,2-3,8-15H2,1H3/p+1