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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-azanium Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium CAS Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-(1,3-benzothiazol-2-ylmethyl)-methylammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-(1,3-benzothiazol-2-ylmethyl)-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-(piperonylamino)ethyl]-methyl-ammonium Formula: C19H20N3O3S+ MolecularWeight: 370.4454

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H19N3O3S/c1-22(11-19-21-14-4-2-3-5-17(14)26-19)10-18(23)20-9-13-6-7-15-16(8-13)25-12-24-15/h2-8H,9-12H2,1H3,(H,20,23)/p+1