8-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]sulfanylquinoline

Systemtic Name: 8-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]sulfanylquinoline Openeye Name: 8-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]sulfanylquinoline CAS Name: 8-[[5-(4-methyl-1-piperazin-4-iumyl)-2-nitrophenyl]thio]quinoline IUPAC Name: 8-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitrophenyl]sulfanylquinoline Traditional Name: 8-[[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]thio]quinoline Formula: C20H21N4O2S+ MolecularWeight: 381.47134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C20H20N4O2S/c1-22-10-12-23(13-11-22)16-7-8-17(24(25)26)19(14-16)27-18-6-2-4-15-5-3-9-21-20(15)18/h2-9,14H,10-13H2,1H3/p+1