(4-dimethylaminophenyl)methylidene-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]azanium

Systemtic Name: (4-dimethylaminophenyl)methylidene-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]azanium Openeye Name: (4-dimethylaminophenyl)methylene-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]ammonium CAS Name: (4-dimethylaminophenyl)methylidene-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]ammonium IUPAC Name: (4-dimethylaminophenyl)methylidene-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]azanium Traditional Name: [4-(dimethylamino)benzylidene]-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]ammonium Formula: C17H20N3O3+ MolecularWeight: 314.359

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=[NH+]CC(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C=[NH+]C[C@H](C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C17H19N3O3/c1-19(2)15-7-3-13(4-8-15)11-18-12-17(21)14-5-9-16(10-6-14)20(22)23/h3-11,17,21H,12H2,1-2H3/p+1/t17-/m1/s1