[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]-[(2S)-pentan-2-yl]azanium

Systemtic Name: [(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]-[(2S)-pentan-2-yl]azanium Openeye Name: [(1S)-1-methylbutyl]-[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium CAS Name: [(1R)-1-(4-methyl-3-nitrophenyl)ethyl]-[(2S)-pentan-2-yl]ammonium IUPAC Name: [(1R)-1-(4-methyl-3-nitrophenyl)ethyl]-[(2S)-pentan-2-yl]azanium Traditional Name: [(1S)-1-methylbutyl]-[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium Formula: C14H23N2O2+ MolecularWeight: 251.34462

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)[NH2+]C(C)C1=CC(=C(C=C1)C)[N+](=O)[O-]

Isomeric SMILES

CCC[C@H](C)[NH2+][C@H](C)C1=CC(=C(C=C1)C)[N+](=O)[O-]

InChI

InChI=1S/C14H22N2O2/c1-5-6-11(3)15-12(4)13-8-7-10(2)14(9-13)16(17)18/h7-9,11-12,15H,5-6H2,1-4H3/p+1/t11-,12+/m0/s1