2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-nitro-phenolate Openeye Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-nitro-phenolate CAS Name: 2-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-4-nitrophenolate IUPAC Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-nitrophenolate Traditional Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-nitro-phenolate Formula: C17H18ClN3O3 MolecularWeight: 347.79612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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