1,3-benzodioxol-5-ylmethyl-methyl-[2-(4-thiomorpholin-4-ylcarbonyl-1,2,3-triazol-1-yl)ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-(4-thiomorpholin-4-ylcarbonyl-1,2,3-triazol-1-yl)ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[4-[oxo(thiomorpholin-4-yl)methyl]-1-triazolyl]ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]azanium Traditional Name: methyl-piperonyl-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]ammonium Formula: C18H24N5O3S+ MolecularWeight: 390.47986

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCN1C=C(N=N1)C(=O)N2CCSCC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+](CCN1C=C(N=N1)C(=O)N2CCSCC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H23N5O3S/c1-21(11-14-2-3-16-17(10-14)26-13-25-16)4-5-23-12-15(19-20-23)18(24)22-6-8-27-9-7-22/h2-3,10,12H,4-9,11,13H2,1H3/p+1