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

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-dipropyl-azanium Openeye Name: [5-(1,3-benzodioxol-5-yl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl-dipropyl-ammonium CAS Name: [5-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-dipropylammonium IUPAC Name: [5-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-dipropylazanium Traditional Name: [5-(1,3-benzodioxol-5-yl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl-dipropyl-ammonium Formula: C16H22N3O3S+ MolecularWeight: 336.42918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3S/c1-3-7-18(8-4-2)10-19-16(23)22-15(17-19)12-5-6-13-14(9-12)21-11-20-13/h5-6,9H,3-4,7-8,10-11H2,1-2H3/p+1