[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl-[(2R)-3-(2-nitrophenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: [(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl-[(2R)-3-(2-nitrophenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(2R)-2-hydroxy-3-(2-nitrophenoxy)propyl]-[[(1S)-isochroman-1-yl]methyl]ammonium CAS Name: [(1S)-3,4-dihydro-1H-2-benzopyran-1-yl]methyl-[(2R)-2-hydroxy-3-(2-nitrophenoxy)propyl]ammonium IUPAC Name: [(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl-[(2R)-2-hydroxy-3-(2-nitrophenoxy)propyl]azanium Traditional Name: [(2R)-2-hydroxy-3-(2-nitrophenoxy)propyl]-[[(1S)-isochroman-1-yl]methyl]ammonium Formula: C19H23N2O5+ MolecularWeight: 359.39632

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)C[NH2+]CC(COC3=CC=CC=C3[N+](=O)[O-])O

Isomeric SMILES

C1CO[C@@H](C2=CC=CC=C21)C[NH2+]C[C@H](COC3=CC=CC=C3[N+](=O)[O-])O

InChI

InChI=1S/C19H22N2O5/c22-15(13-26-18-8-4-3-7-17(18)21(23)24)11-20-12-19-16-6-2-1-5-14(16)9-10-25-19/h1-8,15,19-20,22H,9-13H2/p+1/t15-,19-/m1/s1