[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [2-[4-(4-hydroxyphenyl)-1-piperazinyl]-2-oxoethyl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-[4-(4-hydroxyphenyl)piperazino]-2-keto-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C21H27N3O2S/c1-22(15-17-3-9-20(27-2)10-4-17)16-21(26)24-13-11-23(12-14-24)18-5-7-19(25)8-6-18/h3-10,25H,11-16H2,1-2H3/p+1