ethyl 4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[4-(methylthio)phenyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[4-(methylthio)benzyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C15H23N2O2S+ MolecularWeight: 295.42032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)SC

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C15H22N2O2S/c1-3-19-15(18)17-10-8-16(9-11-17)12-13-4-6-14(20-2)7-5-13/h4-7H,3,8-12H2,1-2H3/p+1