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

Systemtic Name: [(1S)-2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethanoyl]amino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxo-acetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[2-(1,3-benzodioxol-5-ylamino)-1,2-dioxoethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoacetyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-acetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C19H22N3O4+ MolecularWeight: 356.39568

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C(=O)NC1=CC2=C(C=C1)OCO2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C(=O)NC1=CC2=C(C=C1)OCO2)C3=CC=CC=C3

InChI

InChI=1S/C19H21N3O4/c1-22(2)15(13-6-4-3-5-7-13)11-20-18(23)19(24)21-14-8-9-16-17(10-14)26-12-25-16/h3-10,15H,11-12H2,1-2H3,(H,20,23)(H,21,24)/p+1/t15-/m1/s1