[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl-[(3-nitrophenyl)methylidene]azanium

Systemtic Name: [(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl-[(3-nitrophenyl)methylidene]azanium Openeye Name: [(1S)-isochroman-1-yl]methyl-[(3-nitrophenyl)methylene]ammonium CAS Name: [(1S)-3,4-dihydro-1H-2-benzopyran-1-yl]methyl-[(3-nitrophenyl)methylidene]ammonium IUPAC Name: [(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl-[(3-nitrophenyl)methylidene]azanium Traditional Name: [(1S)-isochroman-1-yl]methyl-(3-nitrobenzylidene)ammonium Formula: C17H17N2O3+ MolecularWeight: 297.32848

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)C[NH+]=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CO[C@@H](C2=CC=CC=C21)C[NH+]=CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O3/c20-19(21)15-6-3-4-13(10-15)11-18-12-17-16-7-2-1-5-14(16)8-9-22-17/h1-7,10-11,17H,8-9,12H2/p+1/t17-/m1/s1