[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-bis(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-bis(thiophen-2-ylmethyl)azanium Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-bis(2-thienylmethyl)ammonium CAS Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium Traditional Name: [2-keto-2-(piperonylamino)ethyl]-bis(2-thenyl)ammonium Formula: C20H21N2O3S2+ MolecularWeight: 401.52234

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C[NH+](CC3=CC=CS3)CC4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C[NH+](CC3=CC=CS3)CC4=CC=CS4

InChI

InChI=1S/C20H20N2O3S2/c23-20(21-10-15-5-6-18-19(9-15)25-14-24-18)13-22(11-16-3-1-7-26-16)12-17-4-2-8-27-17/h1-9H,10-14H2,(H,21,23)/p+1