1-(4-methoxyphenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(4-methoxyphenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Openeye Name: 1-(4-methoxyphenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium CAS Name: 1-(4-methoxyphenyl)-4-[[4-(methylthio)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-(4-methoxyphenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-methoxyphenyl)-4-[4-(methylthio)benzyl]piperazin-4-ium Formula: C19H25N2OS+ MolecularWeight: 329.4796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C19H24N2OS/c1-22-18-7-5-17(6-8-18)21-13-11-20(12-14-21)15-16-3-9-19(23-2)10-4-16/h3-10H,11-15H2,1-2H3/p+1