4-methoxy-2-[[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4-methoxy-2-[[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 4-methoxy-2-[[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol CAS Name: 4-methoxy-2-[[4-[[4-(methylthio)phenyl]methyl]-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 4-methoxy-2-[[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 4-methoxy-2-[[4-[4-(methylthio)benzyl]piperazin-1-ium-1-yl]methyl]phenol Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

COC1=CC(=C(C=C1)O)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C20H26N2O2S/c1-24-18-5-8-20(23)17(13-18)15-22-11-9-21(10-12-22)14-16-3-6-19(25-2)7-4-16/h3-8,13,23H,9-12,14-15H2,1-2H3/p+1