[(1S)-2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethanoyl]amino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethanoyl]amino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-acetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[2-(1,3-benzodioxol-5-ylmethylamino)-1,2-dioxoethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[2-keto-2-(piperonylamino)acetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C20H24N3O4+ MolecularWeight: 370.42226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C(=O)NCC1=CC2=C(C=C1)OCO2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C(=O)NCC1=CC2=C(C=C1)OCO2)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O4/c1-23(2)16(15-6-4-3-5-7-15)12-22-20(25)19(24)21-11-14-8-9-17-18(10-14)27-13-26-17/h3-10,16H,11-13H2,1-2H3,(H,21,24)(H,22,25)/p+1/t16-/m1/s1