1-methyl-3-[1-(4-nitrophenyl)pyrrolidin-3-yl]imidazol-1-ium

Systemtic Name: 1-methyl-3-[1-(4-nitrophenyl)pyrrolidin-3-yl]imidazol-1-ium Openeye Name: 1-methyl-3-[1-(4-nitrophenyl)pyrrolidin-3-yl]imidazol-1-ium CAS Name: 1-methyl-3-[1-(4-nitrophenyl)-3-pyrrolidinyl]imidazol-1-ium IUPAC Name: 1-methyl-3-[1-(4-nitrophenyl)pyrrolidin-3-yl]imidazol-1-ium Traditional Name: 1-methyl-3-[1-(4-nitrophenyl)pyrrolidin-3-yl]imidazol-1-ium Formula: C14H17N4O2+ MolecularWeight: 273.31038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)C2CCN(C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[N+]1=CN(C=C1)C2CCN(C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H17N4O2/c1-15-8-9-17(11-15)14-6-7-16(10-14)12-2-4-13(5-3-12)18(19)20/h2-5,8-9,11,14H,6-7,10H2,1H3/q+1