(4S)-4-methyl-2-(2-nitrophenyl)-4-propan-2-yl-1H-imidazol-3-ium-5-one

Systemtic Name: (4S)-4-methyl-2-(2-nitrophenyl)-4-propan-2-yl-1H-imidazol-3-ium-5-one Openeye Name: (4S)-4-isopropyl-4-methyl-2-(2-nitrophenyl)-1H-imidazol-3-ium-5-one CAS Name: (4S)-4-methyl-2-(2-nitrophenyl)-4-propan-2-yl-1H-imidazol-3-ium-5-one IUPAC Name: (4S)-4-methyl-2-(2-nitrophenyl)-4-propan-2-yl-1H-imidazol-3-ium-5-one Traditional Name: (5S)-5-isopropyl-5-methyl-2-(2-nitrophenyl)-2-imidazolin-1-ium-4-one Formula: C13H16N3O3+ MolecularWeight: 262.28444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=O)NC(=[NH+]1)C2=CC=CC=C2[N+](=O)[O-])C

Isomeric SMILES

CC(C)[C@]1(C(=O)NC(=[NH+]1)C2=CC=CC=C2[N+](=O)[O-])C

InChI

InChI=1S/C13H15N3O3/c1-8(2)13(3)12(17)14-11(15-13)9-6-4-5-7-10(9)16(18)19/h4-8H,1-3H3,(H,14,15,17)/p+1/t13-/m0/s1