1-[(4-bromophenyl)methyl]-N'-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]piperidin-1-ium-4-carbohydrazide

Systemtic Name: 1-[(4-bromophenyl)methyl]-N'-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]piperidin-1-ium-4-carbohydrazide Openeye Name: 1-[(4-bromophenyl)methyl]-N'-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]piperidin-1-ium-4-carbohydrazide CAS Name: 1-[(4-bromophenyl)methyl]-N'-[(4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-4-piperidin-1-iumcarbohydrazide IUPAC Name: 1-[(4-bromophenyl)methyl]-N'-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]piperidin-1-ium-4-carbohydrazide Traditional Name: 1-(4-bromobenzyl)-N'-[(4-ketocyclohexa-2,5-dien-1-ylidene)methyl]piperidin-1-ium-4-carbohydrazide Formula: C20H23BrN3O2+ MolecularWeight: 417.31952

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NNC=C2C=CC(=O)C=C2)CC3=CC=C(C=C3)Br

Isomeric SMILES

C1C[NH+](CCC1C(=O)NNC=C2C=CC(=O)C=C2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H22BrN3O2/c21-18-5-1-16(2-6-18)14-24-11-9-17(10-12-24)20(26)23-22-13-15-3-7-19(25)8-4-15/h1-8,13,17,22H,9-12,14H2,(H,23,26)/p+1