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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O2/c1-9(2)5-6-13(15)12-7-10(3)11(4)14(8-12)16(17)18/h7-9,13H,5-6,15H2,1-4H3/p+1/t13-/m0/s1