[(2S)-6-methylheptan-2-yl]-[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]azanium

Systemtic Name: [(2S)-6-methylheptan-2-yl]-[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]azanium Openeye Name: [(1S)-1,5-dimethylhexyl]-[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium CAS Name: [(2S)-6-methylheptan-2-yl]-[(1R)-1-(4-methyl-3-nitrophenyl)ethyl]ammonium IUPAC Name: [(2S)-6-methylheptan-2-yl]-[(1R)-1-(4-methyl-3-nitrophenyl)ethyl]azanium Traditional Name: [(1S)-1,5-dimethylhexyl]-[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium Formula: C17H29N2O2+ MolecularWeight: 293.42436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O2/c1-12(2)7-6-8-14(4)18-15(5)16-10-9-13(3)17(11-16)19(20)21/h9-12,14-15,18H,6-8H2,1-5H3/p+1/t14-,15+/m0/s1