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

Systemtic Name: (3-methoxyphenyl)-[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3-methoxyphenyl)-[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (3-methoxyphenyl)-[4-[[4-(methylthio)phenyl]methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-methoxyphenyl)-[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3-methoxyphenyl)-[4-[4-(methylthio)benzyl]piperazin-4-ium-1-yl]methanone Formula: C20H25N2O2S+ MolecularWeight: 357.4897

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O2S/c1-24-18-5-3-4-17(14-18)20(23)22-12-10-21(11-13-22)15-16-6-8-19(25-2)9-7-16/h3-9,14H,10-13,15H2,1-2H3/p+1