[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(4-methylsulfanylphenyl)ethyl]azanium

Systemtic Name: [(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(4-methylsulfanylphenyl)ethyl]azanium Openeye Name: [(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(4-methylsulfanylphenyl)ethyl]ammonium CAS Name: [(2R)-2-(4-methyl-1-piperazin-4-iumyl)-2-[4-(methylthio)phenyl]ethyl]ammonium IUPAC Name: [(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(4-methylsulfanylphenyl)ethyl]azanium Traditional Name: [(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-[4-(methylthio)phenyl]ethyl]ammonium Formula: C14H25N3S+2 MolecularWeight: 267.4334

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(C[NH3+])C2=CC=C(C=C2)SC

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H](C[NH3+])C2=CC=C(C=C2)SC

InChI

InChI=1S/C14H23N3S/c1-16-7-9-17(10-8-16)14(11-15)12-3-5-13(18-2)6-4-12/h3-6,14H,7-11,15H2,1-2H3/p+2/t14-/m0/s1