(2-methoxy-4-methylsulfanyl-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (2-methoxy-4-methylsulfanyl-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (2-methoxy-4-methylsulfanyl-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [2-methoxy-4-(methylthio)phenyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: (2-methoxy-4-methylsulfanylphenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [2-methoxy-4-(methylthio)phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C14H21N2O2S+ MolecularWeight: 281.39374

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=C(C=C(C=C2)SC)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=C(C=C(C=C2)SC)OC

InChI

InChI=1S/C14H20N2O2S/c1-15-6-8-16(9-7-15)14(17)12-5-4-11(19-3)10-13(12)18-2/h4-5,10H,6-9H2,1-3H3/p+1