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

Systemtic Name: 4-methoxy-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]-2-nitro-aniline Openeye Name: 4-methoxy-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]-2-nitro-aniline CAS Name: 4-methoxy-N-[3-(3-methyl-1-imidazol-3-iumyl)propyl]-2-nitroaniline IUPAC Name: 4-methoxy-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]-2-nitroaniline Traditional Name: (4-methoxy-2-nitro-phenyl)-[3-(3-methylimidazol-3-ium-1-yl)propyl]amine Formula: C14H19N4O3+ MolecularWeight: 291.32566

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCCNC2=C(C=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

C[N+]1=CN(C=C1)CCCNC2=C(C=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H19N4O3/c1-16-8-9-17(11-16)7-3-6-15-13-5-4-12(21-2)10-14(13)18(19)20/h4-5,8-11,15H,3,6-7H2,1-2H3/q+1