[(2S)-5-methylhexan-2-yl]-[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]azanium

Systemtic Name: [(2S)-5-methylhexan-2-yl]-[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]azanium Openeye Name: [(1S)-1,4-dimethylpentyl]-[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium CAS Name: [(2S)-5-methylhexan-2-yl]-[(1R)-1-(4-methyl-3-nitrophenyl)ethyl]ammonium IUPAC Name: [(2S)-5-methylhexan-2-yl]-[(1R)-1-(4-methyl-3-nitrophenyl)ethyl]azanium Traditional Name: [(1S)-1,4-dimethylpentyl]-[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium Formula: C16H27N2O2+ MolecularWeight: 279.39778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)[NH2+]C(C)CCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[C@@H](C)[NH2+][C@@H](C)CCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H26N2O2/c1-11(2)6-8-13(4)17-14(5)15-9-7-12(3)16(10-15)18(19)20/h7,9-11,13-14,17H,6,8H2,1-5H3/p+1/t13-,14+/m0/s1