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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[[4-(methylthio)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Traditional Name: 1-[4-(methylthio)benzyl]-4-veratryl-piperazin-1-ium Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC3=CC=C(C=C3)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC3=CC=C(C=C3)SC)OC

InChI

InChI=1S/C21H28N2O2S/c1-24-20-9-6-18(14-21(20)25-2)16-23-12-10-22(11-13-23)15-17-4-7-19(26-3)8-5-17/h4-9,14H,10-13,15-16H2,1-3H3/p+1