4-(4-methylpiperazin-4-ium-1-yl)-8-nitro-quinolin-1-ium

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-8-nitro-quinolin-1-ium Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-8-nitro-quinolin-1-ium CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-8-nitroquinolin-1-ium IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-8-nitroquinolin-1-ium Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-8-nitro-quinolin-1-ium Formula: C14H18N4O2+2 MolecularWeight: 274.31832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C3C=CC=C(C3=[NH+]C=C2)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C3C=CC=C(C3=[NH+]C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O2/c1-16-7-9-17(10-8-16)12-5-6-15-14-11(12)3-2-4-13(14)18(19)20/h2-6H,7-10H2,1H3/p+2