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

Systemtic Name: (3,4-dimethoxyphenyl)-[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[4-[[4-(methylthio)phenyl]methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[4-[4-(methylthio)benzyl]piperazin-4-ium-1-yl]methanone Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)SC)OC

InChI

InChI=1S/C21H26N2O3S/c1-25-19-9-6-17(14-20(19)26-2)21(24)23-12-10-22(11-13-23)15-16-4-7-18(27-3)8-5-16/h4-9,14H,10-13,15H2,1-3H3/p+1