(4-nitrophenyl)methyl-[(2S)-pentan-2-yl]azanium

Systemtic Name: (4-nitrophenyl)methyl-[(2S)-pentan-2-yl]azanium Openeye Name: [(1S)-1-methylbutyl]-[(4-nitrophenyl)methyl]ammonium CAS Name: (4-nitrophenyl)methyl-[(2S)-pentan-2-yl]ammonium IUPAC Name: (4-nitrophenyl)methyl-[(2S)-pentan-2-yl]azanium Traditional Name: [(1S)-1-methylbutyl]-(4-nitrobenzyl)ammonium Formula: C12H19N2O2+ MolecularWeight: 223.29146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O2/c1-3-4-10(2)13-9-11-5-7-12(8-6-11)14(15)16/h5-8,10,13H,3-4,9H2,1-2H3/p+1/t10-/m0/s1