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

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: [5-(1,3-benzodioxol-5-yl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl-benzyl-methyl-ammonium CAS Name: [5-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: [5-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-benzyl-methylazanium Traditional Name: [5-(1,3-benzodioxol-5-yl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl-benzyl-methyl-ammonium Formula: C18H18N3O3S+ MolecularWeight: 356.41882

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CN2C(=S)OC(=N2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CN2C(=S)OC(=N2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H17N3O3S/c1-20(10-13-5-3-2-4-6-13)11-21-18(25)24-17(19-21)14-7-8-15-16(9-14)23-12-22-15/h2-9H,10-12H2,1H3/p+1