[5-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-bis(2-methylpropyl)azanium

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-bis(2-methylpropyl)azanium Openeye Name: [5-(1,3-benzodioxol-5-yl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl-diisobutyl-ammonium CAS Name: [5-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-bis(2-methylpropyl)ammonium IUPAC Name: [5-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-bis(2-methylpropyl)azanium Traditional Name: [5-(1,3-benzodioxol-5-yl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl-diisobutyl-ammonium Formula: C18H26N3O3S+ MolecularWeight: 364.48234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CC(C)C)CN1C(=S)OC(=N1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)C[NH+](CC(C)C)CN1C(=S)OC(=N1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H25N3O3S/c1-12(2)8-20(9-13(3)4)10-21-18(25)24-17(19-21)14-5-6-15-16(7-14)23-11-22-15/h5-7,12-13H,8-11H2,1-4H3/p+1