methyl-[(2-nitrophenyl)methyl]-[2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl]azanium

Systemtic Name: methyl-[(2-nitrophenyl)methyl]-[2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl]azanium Openeye Name: methyl-[2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl]-[(2-nitrophenyl)methyl]ammonium CAS Name: methyl-[(2-nitrophenyl)methyl]-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]ammonium IUPAC Name: methyl-[(2-nitrophenyl)methyl]-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]azanium Traditional Name: [2-keto-2-[[(1S)-1-methylbutyl]amino]ethyl]-methyl-(2-nitrobenzyl)ammonium Formula: C15H24N3O3+ MolecularWeight: 294.36936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O3/c1-4-7-12(2)16-15(19)11-17(3)10-13-8-5-6-9-14(13)18(20)21/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H,16,19)/p+1/t12-/m0/s1