(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-4-ium-1-yl-ethanethioamide

Systemtic Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-4-ium-1-yl-ethanethioamide Openeye Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-4-ium-1-yl-thioacetamide CAS Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-piperazin-4-iumyl)ethanethioamide IUPAC Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-4-ium-1-ylethanethioamide Traditional Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-4-ium-1-yl-thioacetamide Formula: C14H20N3O2S+ MolecularWeight: 294.3925

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(C2=CC3=C(C=C2)OCCO3)C(=S)N

Isomeric SMILES

C1CN(CC[NH2+]1)[C@H](C2=CC3=C(C=C2)OCCO3)C(=S)N

InChI

InChI=1S/C14H19N3O2S/c15-14(20)13(17-5-3-16-4-6-17)10-1-2-11-12(9-10)19-8-7-18-11/h1-2,9,13,16H,3-8H2,(H2,15,20)/p+1/t13-/m1/s1