[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-(3-methylsulfanylphenyl)azanium

Systemtic Name: [2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-(3-methylsulfanylphenyl)azanium Openeye Name: [2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-(3-methylsulfanylphenyl)ammonium CAS Name: [2-(4-methyl-1-piperazinyl)-2-oxoethyl]-[3-(methylthio)phenyl]ammonium IUPAC Name: [2-(4-methylpiperazin-1-yl)-2-oxoethyl]-(3-methylsulfanylphenyl)azanium Traditional Name: [2-keto-2-(4-methylpiperazino)ethyl]-[3-(methylthio)phenyl]ammonium Formula: C14H22N3OS+ MolecularWeight: 280.40898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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