N-[1-(3-methylimidazol-3-ium-1-yl)butan-2-yl]-4-nitro-aniline

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C=C[N+](=C1)C)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(CN1C=C[N+](=C1)C)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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