4-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-3-nitro-benzaldehyde

Systemtic Name: 4-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-3-nitro-benzaldehyde Openeye Name: 4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-3-nitro-benzaldehyde CAS Name: 4-[4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]-3-nitrobenzaldehyde IUPAC Name: 4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-3-nitrobenzaldehyde Traditional Name: 4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-3-nitro-benzaldehyde Formula: C19H21ClN3O4+ MolecularWeight: 390.84074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C19H20ClN3O4/c20-16-2-4-17(5-3-16)27-12-11-21-7-9-22(10-8-21)18-6-1-15(14-24)13-19(18)23(25)26/h1-6,13-14H,7-12H2/p+1