4-ethyl-N-(4-methylphenyl)sulfonyl-piperazin-4-ium-1-carboximidate

Systemtic Name: 4-ethyl-N-(4-methylphenyl)sulfonyl-piperazin-4-ium-1-carboximidate Openeye Name: 4-ethyl-N-(p-tolylsulfonyl)piperazin-4-ium-1-carboximidate CAS Name: 4-ethyl-N-(4-methylphenyl)sulfonyl-1-piperazin-4-iumcarboximidate IUPAC Name: 4-ethyl-N-(4-methylphenyl)sulfonylpiperazin-4-ium-1-carboximidate Traditional Name: 4-ethyl-N-tosyl-piperazin-4-ium-1-carboximidate Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=NS(=O)(=O)C2=CC=C(C=C2)C)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=NS(=O)(=O)C2=CC=C(C=C2)C)[O-]

InChI

InChI=1S/C14H21N3O3S/c1-3-16-8-10-17(11-9-16)14(18)15-21(19,20)13-6-4-12(2)5-7-13/h4-7H,3,8-11H2,1-2H3,(H,15,18)