[(1S)-1-(2,3-dimethyl-5-nitro-phenyl)-4-methyl-pentyl]azanium

Systemtic Name: [(1S)-1-(2,3-dimethyl-5-nitro-phenyl)-4-methyl-pentyl]azanium Openeye Name: [(1S)-1-(2,3-dimethyl-5-nitro-phenyl)-4-methyl-pentyl]ammonium CAS Name: [(1S)-1-(2,3-dimethyl-5-nitrophenyl)-4-methylpentyl]ammonium IUPAC Name: [(1S)-1-(2,3-dimethyl-5-nitrophenyl)-4-methylpentyl]azanium Traditional Name: [(1S)-1-(2,3-dimethyl-5-nitro-phenyl)-4-methyl-pentyl]ammonium Formula: C14H23N2O2+ MolecularWeight: 251.34462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)C(CCC(C)C)[NH3+])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)[C@H](CCC(C)C)[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C14H22N2O2/c1-9(2)5-6-14(15)13-8-12(16(17)18)7-10(3)11(13)4/h7-9,14H,5-6,15H2,1-4H3/p+1/t14-/m0/s1