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

Systemtic Name: [(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl-[(4-nitrophenyl)methylidene]azanium Openeye Name: [(1S)-isochroman-1-yl]methyl-[(4-nitrophenyl)methylene]ammonium CAS Name: [(1S)-3,4-dihydro-1H-2-benzopyran-1-yl]methyl-[(4-nitrophenyl)methylidene]ammonium IUPAC Name: [(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl-[(4-nitrophenyl)methylidene]azanium Traditional Name: [(1S)-isochroman-1-yl]methyl-(4-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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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