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

Systemtic Name: [2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-(4-methylsulfonylphenyl)azanium Openeye Name: [2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-(4-methylsulfonylphenyl)ammonium CAS Name: [2-(4-methyl-1-piperazinyl)-2-oxoethyl]-(4-methylsulfonylphenyl)ammonium IUPAC Name: [2-(4-methylpiperazin-1-yl)-2-oxoethyl]-(4-methylsulfonylphenyl)azanium Traditional Name: [2-keto-2-(4-methylpiperazino)ethyl]-(4-mesylphenyl)ammonium Formula: C14H22N3O3S+ MolecularWeight: 312.40778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O3S/c1-16-7-9-17(10-8-16)14(18)11-15-12-3-5-13(6-4-12)21(2,19)20/h3-6,15H,7-11H2,1-2H3/p+1