N-[1-(2,3-dimethylimidazol-3-ium-1-yl)propan-2-yl]-4-nitro-aniline

Systemtic Name: N-[1-(2,3-dimethylimidazol-3-ium-1-yl)propan-2-yl]-4-nitro-aniline Openeye Name: N-[2-(2,3-dimethylimidazol-3-ium-1-yl)-1-methyl-ethyl]-4-nitro-aniline CAS Name: N-[1-(2,3-dimethyl-1-imidazol-3-iumyl)propan-2-yl]-4-nitroaniline IUPAC Name: N-[1-(2,3-dimethylimidazol-3-ium-1-yl)propan-2-yl]-4-nitroaniline Traditional Name: [2-(2,3-dimethylimidazol-3-ium-1-yl)-1-methyl-ethyl]-(4-nitrophenyl)amine Formula: C14H19N4O2+ MolecularWeight: 275.32626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1CC(C)NC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=[N+](C=CN1CC(C)NC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C14H19N4O2/c1-11(10-17-9-8-16(3)12(17)2)15-13-4-6-14(7-5-13)18(19)20/h4-9,11,15H,10H2,1-3H3/q+1