1-[(4-methylsulfanylphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-[[4-(methylthio)phenyl]methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-[4-(methylthio)benzyl]-4-(3,4,5-trimethoxybenzyl)piperazin-1-ium Formula: C22H31N2O3S+ MolecularWeight: 403.55814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN2CC[NH+](CC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN2CC[NH+](CC2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C22H30N2O3S/c1-25-20-13-18(14-21(26-2)22(20)27-3)16-24-11-9-23(10-12-24)15-17-5-7-19(28-4)8-6-17/h5-8,13-14H,9-12,15-16H2,1-4H3/p+1