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

Systemtic Name: 1-[(2S)-1-(1H-imidazol-3-ium-3-yl)-3,3-dimethyl-butan-2-yl]-3-(2-methoxyphenyl)urea Openeye Name: 1-[(1S)-1-(1H-imidazol-3-ium-3-ylmethyl)-2,2-dimethyl-propyl]-3-(2-methoxyphenyl)urea CAS Name: 1-[(2S)-1-(1H-imidazol-3-ium-3-yl)-3,3-dimethylbutan-2-yl]-3-(2-methoxyphenyl)urea IUPAC Name: 1-[(2S)-1-(1H-imidazol-3-ium-3-yl)-3,3-dimethylbutan-2-yl]-3-(2-methoxyphenyl)urea Traditional Name: 1-[(1S)-1-(1H-imidazol-3-ium-3-ylmethyl)-2,2-dimethyl-propyl]-3-(2-methoxyphenyl)urea Formula: C17H25N4O2+ MolecularWeight: 317.406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C[N+]1=CNC=C1)NC(=O)NC2=CC=CC=C2OC

Isomeric SMILES

CC(C)(C)[C@@H](C[N+]1=CNC=C1)NC(=O)NC2=CC=CC=C2OC

InChI

InChI=1S/C17H24N4O2/c1-17(2,3)15(11-21-10-9-18-12-21)20-16(22)19-13-7-5-6-8-14(13)23-4/h5-10,12,15H,11H2,1-4H3,(H2,19,20,22)/p+1/t15-/m1/s1