[(2S,3S)-3-methyl-1-[(4-methyl-3-nitro-phenyl)amino]-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S,3S)-3-methyl-1-[(4-methyl-3-nitro-phenyl)amino]-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S,2S)-2-methyl-1-[(4-methyl-3-nitro-phenyl)carbamoyl]butyl]ammonium CAS Name: [(2S,3S)-3-methyl-1-(4-methyl-3-nitroanilino)-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S,3S)-3-methyl-1-(4-methyl-3-nitroanilino)-1-oxopentan-2-yl]azanium Traditional Name: [(1S,2S)-2-methyl-1-[(4-methyl-3-nitro-phenyl)carbamoyl]butyl]ammonium Formula: C13H20N3O3+ MolecularWeight: 266.3162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC(=C(C=C1)C)[N+](=O)[O-])[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1=CC(=C(C=C1)C)[N+](=O)[O-])[NH3+]

InChI

InChI=1S/C13H19N3O3/c1-4-8(2)12(14)13(17)15-10-6-5-9(3)11(7-10)16(18)19/h5-8,12H,4,14H2,1-3H3,(H,15,17)/p+1/t8-,12-/m0/s1