[(S)-(3,4-dimethyl-5-nitro-phenyl)-[(2R)-oxolan-2-yl]methyl]azanium

Systemtic Name: [(S)-(3,4-dimethyl-5-nitro-phenyl)-[(2R)-oxolan-2-yl]methyl]azanium Openeye Name: [(S)-(3,4-dimethyl-5-nitro-phenyl)-[(2R)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: [(S)-(3,4-dimethyl-5-nitrophenyl)-[(2R)-2-oxolanyl]methyl]ammonium IUPAC Name: [(S)-(3,4-dimethyl-5-nitrophenyl)-[(2R)-oxolan-2-yl]methyl]azanium Traditional Name: [(S)-(3,4-dimethyl-5-nitro-phenyl)-[(2R)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C13H19N2O3+ MolecularWeight: 251.30156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(C2CCCO2)[NH3+])[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC(=C1)[C@@H]([C@H]2CCCO2)[NH3+])[N+](=O)[O-])C

InChI

InChI=1S/C13H18N2O3/c1-8-6-10(7-11(9(8)2)15(16)17)13(14)12-4-3-5-18-12/h6-7,12-13H,3-5,14H2,1-2H3/p+1/t12-,13+/m1/s1