2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamothioylamino)ethyl-dimethyl-azanium

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamothioylamino)ethyl-dimethyl-azanium Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamothioylamino)ethyl-dimethyl-ammonium CAS Name: 2-[[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamothioylamino)ethyl-dimethylazanium Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthiocarbamoylamino)ethyl-dimethyl-ammonium Formula: C14H22N3O2S+ MolecularWeight: 296.40838

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)NC1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

C[NH+](C)CCNC(=S)NC1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C14H21N3O2S/c1-17(2)7-6-15-14(20)16-11-4-5-12-13(10-11)19-9-3-8-18-12/h4-5,10H,3,6-9H2,1-2H3,(H2,15,16,20)/p+1