2-[C-(4-methylpiperazin-4-ium-1-yl)-N-phenyl-carbonimidoyl]sulfanylethanoate

Systemtic Name: 2-[C-(4-methylpiperazin-4-ium-1-yl)-N-phenyl-carbonimidoyl]sulfanylethanoate Openeye Name: 2-[C-(4-methylpiperazin-4-ium-1-yl)-N-phenyl-carbonimidoyl]sulfanylacetate CAS Name: 2-[[(4-methyl-1-piperazin-4-iumyl)-phenyliminomethyl]thio]acetate IUPAC Name: 2-[C-(4-methylpiperazin-4-ium-1-yl)-N-phenylcarbonimidoyl]sulfanylacetate Traditional Name: 2-[[C-(4-methylpiperazin-4-ium-1-yl)-N-phenyl-carbonimidoyl]thio]acetate Formula: C14H19N3O2S MolecularWeight: 293.38456

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)[O-]

InChI

InChI=1S/C14H19N3O2S/c1-16-7-9-17(10-8-16)14(20-11-13(18)19)15-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,18,19)