diethyl-methyl-[2-[[5-[3-(3-methylimidazol-3-ium-1-yl)propylamino]-2-nitro-phenyl]amino]ethyl]azanium

Systemtic Name: diethyl-methyl-[2-[[5-[3-(3-methylimidazol-3-ium-1-yl)propylamino]-2-nitro-phenyl]amino]ethyl]azanium Openeye Name: diethyl-methyl-[2-[5-[3-(3-methylimidazol-3-ium-1-yl)propylamino]-2-nitro-anilino]ethyl]ammonium CAS Name: diethyl-methyl-[2-[5-[3-(3-methyl-1-imidazol-3-iumyl)propylamino]-2-nitroanilino]ethyl]ammonium IUPAC Name: diethyl-methyl-[2-[5-[3-(3-methylimidazol-3-ium-1-yl)propylamino]-2-nitroanilino]ethyl]azanium Traditional Name: diethyl-methyl-[2-[5-[3-(3-methylimidazol-3-ium-1-yl)propylamino]-2-nitro-anilino]ethyl]ammonium Formula: C20H34N6O2+2 MolecularWeight: 390.52296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCNC1=C(C=CC(=C1)NCCCN2C=C[N+](=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC[N+](C)(CC)CCNC1=C(C=CC(=C1)NCCCN2C=C[N+](=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C20H34N6O2/c1-5-26(4,6-2)15-11-22-19-16-18(8-9-20(19)25(27)28)21-10-7-12-24-14-13-23(3)17-24/h8-9,13-14,16-17,21-22H,5-7,10-12,15H2,1-4H3/q+2