1-[(2R)-1-(1H-imidazol-3-ium-3-yl)-3,3-dimethyl-butan-2-yl]-3-(3-nitrophenyl)urea

Systemtic Name: 1-[(2R)-1-(1H-imidazol-3-ium-3-yl)-3,3-dimethyl-butan-2-yl]-3-(3-nitrophenyl)urea Openeye Name: 1-[(1R)-1-(1H-imidazol-3-ium-3-ylmethyl)-2,2-dimethyl-propyl]-3-(3-nitrophenyl)urea CAS Name: 1-[(2R)-1-(1H-imidazol-3-ium-3-yl)-3,3-dimethylbutan-2-yl]-3-(3-nitrophenyl)urea IUPAC Name: 1-[(2R)-1-(1H-imidazol-3-ium-3-yl)-3,3-dimethylbutan-2-yl]-3-(3-nitrophenyl)urea Traditional Name: 1-[(1R)-1-(1H-imidazol-3-ium-3-ylmethyl)-2,2-dimethyl-propyl]-3-(3-nitrophenyl)urea Formula: C16H22N5O3+ MolecularWeight: 332.37758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C[N+]1=CNC=C1)NC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)[C@H](C[N+]1=CNC=C1)NC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O3/c1-16(2,3)14(10-20-8-7-17-11-20)19-15(22)18-12-5-4-6-13(9-12)21(23)24/h4-9,11,14H,10H2,1-3H3,(H2,18,19,22)/p+1/t14-/m0/s1