[(1R)-1-(2-methoxy-5-nitro-phenyl)-4-methyl-pentyl]azanium

Systemtic Name: [(1R)-1-(2-methoxy-5-nitro-phenyl)-4-methyl-pentyl]azanium Openeye Name: [(1R)-1-(2-methoxy-5-nitro-phenyl)-4-methyl-pentyl]ammonium CAS Name: [(1R)-1-(2-methoxy-5-nitrophenyl)-4-methylpentyl]ammonium IUPAC Name: [(1R)-1-(2-methoxy-5-nitrophenyl)-4-methylpentyl]azanium Traditional Name: [(1R)-1-(2-methoxy-5-nitro-phenyl)-4-methyl-pentyl]ammonium Formula: C13H21N2O3+ MolecularWeight: 253.31744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O3/c1-9(2)4-6-12(14)11-8-10(15(16)17)5-7-13(11)18-3/h5,7-9,12H,4,6,14H2,1-3H3/p+1/t12-/m1/s1