4-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[[4-(2-chlorophenyl)-1-piperazin-1-iumyl]methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2-methoxy-6-nitro-phenolate Formula: C18H20ClN3O4 MolecularWeight: 377.8221

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C[NH+]2CCN(CC2)C3=CC=CC=C3Cl

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C[NH+]2CCN(CC2)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H20ClN3O4/c1-26-17-11-13(10-16(18(17)23)22(24)25)12-20-6-8-21(9-7-20)15-5-3-2-4-14(15)19/h2-5,10-11,23H,6-9,12H2,1H3