1-(ethylsulfanylmethyl)-1,4-dimethyl-piperazin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-(ethylsulfanylmethyl)-1,4-dimethyl-piperazin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-(ethylsulfanylmethyl)-1,4-dimethyl-piperazin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-[(ethylthio)methyl]-1,4-dimethylpiperazin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-(ethylsulfanylmethyl)-1,4-dimethylpiperazin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-[(ethylthio)methyl]-1,4-dimethyl-piperazin-1-ium tosylate Formula: C16H28N2O3S2 MolecularWeight: 360.53512

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Descriptors Computed from Structure

Canonical SMILES:

CCSC[N+]1(CCN(CC1)C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCSC[N+]1(CCN(CC1)C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C9H21N2S.C7H8O3S/c1-4-12-9-11(3)7-5-10(2)6-8-11;1-6-2-4-7(5-3-6)11(8,9)10/h4-9H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1