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

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

CC1=C(C=C(C=C1)NC(=O)C(CC(C)C)[NH3+])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](CC(C)C)[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O3/c1-8(2)6-11(14)13(17)15-10-5-4-9(3)12(7-10)16(18)19/h4-5,7-8,11H,6,14H2,1-3H3,(H,15,17)/p+1/t11-/m0/s1