4-[[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-ium-1-yl]methyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-ium-1-yl]methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[[4-(4-bromophenyl)-4-hydroxy-piperidin-1-ium-1-yl]methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[[4-(4-bromophenyl)-4-hydroxy-1-piperidin-1-iumyl]methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[[4-(4-bromophenyl)-4-hydroxypiperidin-1-ium-1-yl]methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[[4-(4-bromophenyl)-4-hydroxy-piperidin-1-ium-1-yl]methyl]-2-methoxy-6-nitro-phenolate Formula: C19H21BrN2O5 MolecularWeight: 437.28444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O5/c1-27-17-11-13(10-16(18(17)23)22(25)26)12-21-8-6-19(24,7-9-21)14-2-4-15(20)5-3-14/h2-5,10-11,23-24H,6-9,12H2,1H3