[(1S,2S)-1-(2-methoxy-5-nitro-phenyl)-2-methyl-pentyl]azanium

Systemtic Name: [(1S,2S)-1-(2-methoxy-5-nitro-phenyl)-2-methyl-pentyl]azanium Openeye Name: [(1S,2S)-1-(2-methoxy-5-nitro-phenyl)-2-methyl-pentyl]ammonium CAS Name: [(1S,2S)-1-(2-methoxy-5-nitrophenyl)-2-methylpentyl]ammonium IUPAC Name: [(1S,2S)-1-(2-methoxy-5-nitrophenyl)-2-methylpentyl]azanium Traditional Name: [(1S,2S)-1-(2-methoxy-5-nitro-phenyl)-2-methyl-pentyl]ammonium Formula: C13H21N2O3+ MolecularWeight: 253.31744

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(C1=C(C=CC(=C1)[N+](=O)[O-])OC)[NH3+]

Isomeric SMILES

CCC[C@H](C)[C@@H](C1=C(C=CC(=C1)[N+](=O)[O-])OC)[NH3+]

InChI

InChI=1S/C13H20N2O3/c1-4-5-9(2)13(14)11-8-10(15(16)17)6-7-12(11)18-3/h6-9,13H,4-5,14H2,1-3H3/p+1/t9-,13-/m0/s1