[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-(4-methylsulfanylphenyl)azanium

Systemtic Name: [2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-(4-methylsulfanylphenyl)azanium Openeye Name: [2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-(4-methylsulfanylphenyl)ammonium CAS Name: [2-(4-methyl-1-piperazinyl)-2-oxoethyl]-[4-(methylthio)phenyl]ammonium IUPAC Name: [2-(4-methylpiperazin-1-yl)-2-oxoethyl]-(4-methylsulfanylphenyl)azanium Traditional Name: [2-keto-2-(4-methylpiperazino)ethyl]-[4-(methylthio)phenyl]ammonium Formula: C14H22N3OS+ MolecularWeight: 280.40898

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C[NH2+]C2=CC=C(C=C2)SC

Isomeric SMILES

CN1CCN(CC1)C(=O)C[NH2+]C2=CC=C(C=C2)SC

InChI

InChI=1S/C14H21N3OS/c1-16-7-9-17(10-8-16)14(18)11-15-12-3-5-13(19-2)6-4-12/h3-6,15H,7-11H2,1-2H3/p+1