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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)SC

InChI

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