4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenoxy]benzaldehyde

Systemtic Name: 4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenoxy]benzaldehyde Openeye Name: 4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenoxy]benzaldehyde CAS Name: 4-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenoxy]benzaldehyde IUPAC Name: 4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenoxy]benzaldehyde Traditional Name: 4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenoxy]benzaldehyde Formula: C18H20N3O6S+ MolecularWeight: 406.4329

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=CC=C(C=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O6S/c1-19-8-10-20(11-9-19)28(25,26)16-6-7-18(17(12-16)21(23)24)27-15-4-2-14(13-22)3-5-15/h2-7,12-13H,8-11H2,1H3/p+1