[(2S)-5-methylhexan-2-yl]-[(3-nitrophenyl)methyl]azanium

Systemtic Name: [(2S)-5-methylhexan-2-yl]-[(3-nitrophenyl)methyl]azanium Openeye Name: [(1S)-1,4-dimethylpentyl]-[(3-nitrophenyl)methyl]ammonium CAS Name: [(2S)-5-methylhexan-2-yl]-[(3-nitrophenyl)methyl]ammonium IUPAC Name: [(2S)-5-methylhexan-2-yl]-[(3-nitrophenyl)methyl]azanium Traditional Name: [(1S)-1,4-dimethylpentyl]-(3-nitrobenzyl)ammonium Formula: C14H23N2O2+ MolecularWeight: 251.34462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O2/c1-11(2)7-8-12(3)15-10-13-5-4-6-14(9-13)16(17)18/h4-6,9,11-12,15H,7-8,10H2,1-3H3/p+1/t12-/m0/s1