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

Systemtic Name: 2-[(Z)-[[1-[(4-bromophenyl)methyl]piperidin-1-ium-4-yl]carbonylhydrazinylidene]methyl]-6-methoxy-4-nitro-phenolate Openeye Name: 2-[(Z)-[[1-[(4-bromophenyl)methyl]piperidin-1-ium-4-carbonyl]hydrazono]methyl]-6-methoxy-4-nitro-phenolate CAS Name: 2-[(Z)-[[[1-[(4-bromophenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]hydrazinylidene]methyl]-6-methoxy-4-nitrophenolate IUPAC Name: 2-[(Z)-[[1-[(4-bromophenyl)methyl]piperidin-1-ium-4-carbonyl]hydrazinylidene]methyl]-6-methoxy-4-nitrophenolate Traditional Name: 2-[(Z)-[[1-(4-bromobenzyl)piperidin-1-ium-4-carbonyl]hydrazono]methyl]-6-methoxy-4-nitro-phenolate Formula: C21H23BrN4O5 MolecularWeight: 491.33512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=NNC(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)Br)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])/C=N\NC(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)Br)[O-]

InChI

InChI=1S/C21H23BrN4O5/c1-31-19-11-18(26(29)30)10-16(20(19)27)12-23-24-21(28)15-6-8-25(9-7-15)13-14-2-4-17(22)5-3-14/h2-5,10-12,15,27H,6-9,13H2,1H3,(H,24,28)/b23-12-