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

Systemtic Name: [(1S)-4-methyl-1-(2-methyl-5-nitro-phenyl)pentyl]azanium Openeye Name: [(1S)-4-methyl-1-(2-methyl-5-nitro-phenyl)pentyl]ammonium CAS Name: [(1S)-4-methyl-1-(2-methyl-5-nitrophenyl)pentyl]ammonium IUPAC Name: [(1S)-4-methyl-1-(2-methyl-5-nitrophenyl)pentyl]azanium Traditional Name: [(1S)-4-methyl-1-(2-methyl-5-nitro-phenyl)pentyl]ammonium Formula: C13H21N2O2+ MolecularWeight: 237.31804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2/c1-9(2)4-7-13(14)12-8-11(15(16)17)6-5-10(12)3/h5-6,8-9,13H,4,7,14H2,1-3H3/p+1/t13-/m0/s1