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

Systemtic Name: 1-[(4-ethoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(4-ethoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium CAS Name: 1-[(4-ethoxyphenyl)methyl]-4-[[4-(methylthio)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-[(4-ethoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-ethoxybenzyl)-4-[4-(methylthio)benzyl]piperazin-4-ium Formula: C21H29N2OS+ MolecularWeight: 357.53276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H28N2OS/c1-3-24-20-8-4-18(5-9-20)16-22-12-14-23(15-13-22)17-19-6-10-21(25-2)11-7-19/h4-11H,3,12-17H2,1-2H3/p+1