1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(3-methyl-5-nitro-4-imidazolyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(3-methyl-5-nitroimidazol-4-yl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-ium-1-yl]ethanone Formula: C19H25N6O3+ MolecularWeight: 385.4402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1N2CC[NH+](CC2)CC(=O)N3CCCC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1N2CC[NH+](CC2)CC(=O)N3CCCC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C19H24N6O3/c1-21-14-20-18(25(27)28)19(21)23-11-9-22(10-12-23)13-17(26)24-8-4-6-15-5-2-3-7-16(15)24/h2-3,5,7,14H,4,6,8-13H2,1H3/p+1