1-(2-ethoxyphenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(2-ethoxyphenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Openeye Name: 1-(2-ethoxyphenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium CAS Name: 1-(2-ethoxyphenyl)-4-[[4-(methylthio)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-(2-ethoxyphenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Traditional Name: 1-[4-(methylthio)benzyl]-4-o-phenetyl-piperazin-1-ium Formula: C20H27N2OS+ MolecularWeight: 343.50618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C20H26N2OS/c1-3-23-20-7-5-4-6-19(20)22-14-12-21(13-15-22)16-17-8-10-18(24-2)11-9-17/h4-11H,3,12-16H2,1-2H3/p+1