[(2R)-5-methylhexan-2-yl]-[(1S)-1-(3-nitrophenyl)butyl]azanium

Systemtic Name: [(2R)-5-methylhexan-2-yl]-[(1S)-1-(3-nitrophenyl)butyl]azanium Openeye Name: [(1R)-1,4-dimethylpentyl]-[(1S)-1-(3-nitrophenyl)butyl]ammonium CAS Name: [(2R)-5-methylhexan-2-yl]-[(1S)-1-(3-nitrophenyl)butyl]ammonium IUPAC Name: [(2R)-5-methylhexan-2-yl]-[(1S)-1-(3-nitrophenyl)butyl]azanium Traditional Name: [(1R)-1,4-dimethylpentyl]-[(1S)-1-(3-nitrophenyl)butyl]ammonium Formula: C17H29N2O2+ MolecularWeight: 293.42436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O2/c1-5-7-17(18-14(4)11-10-13(2)3)15-8-6-9-16(12-15)19(20)21/h6,8-9,12-14,17-18H,5,7,10-11H2,1-4H3/p+1/t14-,17+/m1/s1