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

Systemtic Name: N'-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-carbohydrazide Openeye Name: N'-[(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-carbohydrazide CAS Name: N'-[(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumcarbohydrazide IUPAC Name: N'-[(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-carbohydrazide Traditional Name: N'-[(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-1-(4-chlorobenzyl)piperidin-1-ium-4-carbohydrazide Formula: C21H24BrClN3O3+ MolecularWeight: 481.79056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrClN3O3/c1-29-19-11-15(10-18(22)20(19)27)12-24-25-21(28)16-6-8-26(9-7-16)13-14-2-4-17(23)5-3-14/h2-5,10-12,16,24H,6-9,13H2,1H3,(H,25,28)/p+1