2,6-dimethoxy-4-[[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2,6-dimethoxy-4-[[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2,6-dimethoxy-4-[[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol CAS Name: 2,6-dimethoxy-4-[[4-[[4-(methylthio)phenyl]methyl]-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2,6-dimethoxy-4-[[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 2,6-dimethoxy-4-[[4-[4-(methylthio)benzyl]piperazin-1-ium-1-yl]methyl]phenol Formula: C21H29N2O3S+ MolecularWeight: 389.53156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H28N2O3S/c1-25-19-12-17(13-20(26-2)21(19)24)15-23-10-8-22(9-11-23)14-16-4-6-18(27-3)7-5-16/h4-7,12-13,24H,8-11,14-15H2,1-3H3/p+1