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

Systemtic Name: 2-[N-phenyl-C-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonimidoyl]sulfanylethanoate Openeye Name: 2-[C-(4-benzylpiperazin-4-ium-1-yl)-N-phenyl-carbonimidoyl]sulfanylacetate CAS Name: 2-[[phenylimino-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]thio]acetate IUPAC Name: 2-[C-(4-benzylpiperazin-4-ium-1-yl)-N-phenylcarbonimidoyl]sulfanylacetate Traditional Name: 2-[[C-(4-benzylpiperazin-4-ium-1-yl)-N-phenyl-carbonimidoyl]thio]acetate Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=NC3=CC=CC=C3)SCC(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=NC3=CC=CC=C3)SCC(=O)[O-]

InChI

InChI=1S/C20H23N3O2S/c24-19(25)16-26-20(21-18-9-5-2-6-10-18)23-13-11-22(12-14-23)15-17-7-3-1-4-8-17/h1-10H,11-16H2,(H,24,25)