N'-[(3-bromanyl-5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carbohydrazide

Systemtic Name: N'-[(3-bromanyl-5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carbohydrazide Openeye Name: N'-[(3-bromo-5-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carbohydrazide CAS Name: N'-[(3-bromo-5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-1-[(4-nitrophenyl)methyl]-4-piperidin-1-iumcarbohydrazide IUPAC Name: N'-[(3-bromo-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carbohydrazide Traditional Name: N'-[(3-bromo-6-keto-5-methoxy-cyclohexa-2,4-dien-1-ylidene)methyl]-1-(4-nitrobenzyl)piperidin-1-ium-4-carbohydrazide Formula: C21H24BrN4O5+ MolecularWeight: 492.34306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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