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

Systemtic Name: 3-methoxy-4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenoxy]benzaldehyde Openeye Name: 3-methoxy-4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenoxy]benzaldehyde CAS Name: 3-methoxy-4-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenoxy]benzaldehyde IUPAC Name: 3-methoxy-4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenoxy]benzaldehyde Traditional Name: 3-methoxy-4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenoxy]benzaldehyde Formula: C19H22N3O7S+ MolecularWeight: 436.45888

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O7S/c1-20-7-9-21(10-8-20)30(26,27)15-4-6-17(16(12-15)22(24)25)29-18-5-3-14(13-23)11-19(18)28-2/h3-6,11-13H,7-10H2,1-2H3/p+1