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

Systemtic Name: 1-[(4-bromophenyl)methyl]-N'-[(3-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]piperidin-1-ium-4-carbohydrazide Openeye Name: 1-[(4-bromophenyl)methyl]-N'-[(3-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]piperidin-1-ium-4-carbohydrazide CAS Name: 1-[(4-bromophenyl)methyl]-N'-[(3-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-4-piperidin-1-iumcarbohydrazide IUPAC Name: 1-[(4-bromophenyl)methyl]-N'-[(3-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]piperidin-1-ium-4-carbohydrazide Traditional Name: 1-(4-bromobenzyl)-N'-[(6-keto-3-methoxy-cyclohexa-2,4-dien-1-ylidene)methyl]piperidin-1-ium-4-carbohydrazide Formula: C21H25BrN3O3+ MolecularWeight: 447.3455

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O3/c1-28-19-6-7-20(26)17(12-19)13-23-24-21(27)16-8-10-25(11-9-16)14-15-2-4-18(22)5-3-15/h2-7,12-13,16,23H,8-11,14H2,1H3,(H,24,27)/p+1