1-methyl-4-[2-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)ethyl]piperazin-1-ium

Systemtic Name: 1-methyl-4-[2-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)ethyl]piperazin-1-ium Openeye Name: 1-methyl-4-[2-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)ethyl]piperazin-1-ium CAS Name: 1-methyl-4-[2-[5-(methylthio)-4-phenyl-1,2,4-triazol-3-yl]ethyl]piperazin-1-ium IUPAC Name: 1-methyl-4-[2-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)ethyl]piperazin-1-ium Traditional Name: 1-methyl-4-[2-[5-(methylthio)-4-phenyl-1,2,4-triazol-3-yl]ethyl]piperazin-1-ium Formula: C16H24N5S+ MolecularWeight: 318.46026

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCC2=NN=C(N2C3=CC=CC=C3)SC

Isomeric SMILES

C[NH+]1CCN(CC1)CCC2=NN=C(N2C3=CC=CC=C3)SC

InChI

InChI=1S/C16H23N5S/c1-19-10-12-20(13-11-19)9-8-15-17-18-16(22-2)21(15)14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3/p+1