dimethyl-[3-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcarbamothioylamino)propyl]azanium

Systemtic Name: dimethyl-[3-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcarbamothioylamino)propyl]azanium Openeye Name: dimethyl-[3-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcarbamothioylamino)propyl]ammonium CAS Name: dimethyl-[3-[[(5-spiro[1,3-benzodioxole-2,1'-cyclopentane]ylamino)-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcarbamothioylamino)propyl]azanium Traditional Name: dimethyl-[3-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylthiocarbamoylamino)propyl]ammonium Formula: C17H26N3O2S+ MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NC1=CC2=C(C=C1)OC3(O2)CCCC3

Isomeric SMILES

C[NH+](C)CCCNC(=S)NC1=CC2=C(C=C1)OC3(O2)CCCC3

InChI

InChI=1S/C17H25N3O2S/c1-20(2)11-5-10-18-16(23)19-13-6-7-14-15(12-13)22-17(21-14)8-3-4-9-17/h6-7,12H,3-5,8-11H2,1-2H3,(H2,18,19,23)/p+1