[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[[4-(methylthio)phenyl]methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[4-(methylthio)benzyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C17H21N2OS2+ MolecularWeight: 333.49144

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C17H20N2OS2/c1-21-15-6-4-14(5-7-15)13-18-8-10-19(11-9-18)17(20)16-3-2-12-22-16/h2-7,12H,8-11,13H2,1H3/p+1