2-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylethylazanium

Systemtic Name: 2-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylethylazanium Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethylammonium CAS Name: 2-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]ethylammonium IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethylazanium Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethylammonium Formula: C13H23N3O2S+2 MolecularWeight: 285.40562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)CC[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)CC[NH3+]

InChI

InChI=1S/C13H21N3O2S/c14-6-11-19(17,18)16-9-7-15(8-10-16)12-13-4-2-1-3-5-13/h1-5H,6-12,14H2/p+2