2-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-nitro-phenolate Openeye Name: 2-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-nitro-phenolate CAS Name: 2-[[4-(2-chlorophenyl)-1-piperazin-1-iumyl]methyl]-4-nitrophenolate IUPAC Name: 2-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-nitrophenolate Traditional Name: 2-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-nitro-phenolate Formula: C17H18ClN3O3 MolecularWeight: 347.79612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C3=CC=CC=C3Cl

InChI

InChI=1S/C17H18ClN3O3/c18-15-3-1-2-4-16(15)20-9-7-19(8-10-20)12-13-11-14(21(23)24)5-6-17(13)22/h1-6,11,22H,7-10,12H2