8-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenoxy]-5-nitro-quinoline

Systemtic Name: 8-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenoxy]-5-nitro-quinoline Openeye Name: 8-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenoxy]-5-nitro-quinoline CAS Name: 8-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenoxy]-5-nitroquinoline IUPAC Name: 8-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenoxy]-5-nitroquinoline Traditional Name: 8-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenoxy]-5-nitro-quinoline Formula: C20H20N5O7S+ MolecularWeight: 474.4671

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O7S/c1-22-9-11-23(12-10-22)33(30,31)14-4-6-18(17(13-14)25(28)29)32-19-7-5-16(24(26)27)15-3-2-8-21-20(15)19/h2-8,13H,9-12H2,1H3/p+1