7-chloranyl-4-[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-yl]quinolin-1-ium

Systemtic Name: 7-chloranyl-4-[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-yl]quinolin-1-ium Openeye Name: 7-chloro-4-[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-yl]quinolin-1-ium CAS Name: 7-chloro-4-[4-(3-methyl-5-nitro-4-imidazolyl)-1-piperazinyl]quinolin-1-ium IUPAC Name: 7-chloro-4-[4-(3-methyl-5-nitroimidazol-4-yl)piperazin-1-yl]quinolin-1-ium Traditional Name: 7-chloro-4-[4-(3-methyl-5-nitro-imidazol-4-yl)piperazino]quinolin-1-ium Formula: C17H18ClN6O2+ MolecularWeight: 373.81682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1N2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1N2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H17ClN6O2/c1-21-11-20-16(24(25)26)17(21)23-8-6-22(7-9-23)15-4-5-19-14-10-12(18)2-3-13(14)15/h2-5,10-11H,6-9H2,1H3/p+1