1-[(4-bromophenyl)methyl]-N'-[(6-oxidanylidene-5-prop-2-enyl-cyclohexa-2,4-dien-1-ylidene)methyl]piperidin-1-ium-4-carbohydrazide

Systemtic Name: 1-[(4-bromophenyl)methyl]-N'-[(6-oxidanylidene-5-prop-2-enyl-cyclohexa-2,4-dien-1-ylidene)methyl]piperidin-1-ium-4-carbohydrazide Openeye Name: N'-[(5-allyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-1-[(4-bromophenyl)methyl]piperidin-1-ium-4-carbohydrazide CAS Name: 1-[(4-bromophenyl)methyl]-N'-[(6-oxo-5-prop-2-enyl-1-cyclohexa-2,4-dienylidene)methyl]-4-piperidin-1-iumcarbohydrazide IUPAC Name: 1-[(4-bromophenyl)methyl]-N'-[(6-oxo-5-prop-2-enylcyclohexa-2,4-dien-1-ylidene)methyl]piperidin-1-ium-4-carbohydrazide Traditional Name: N'-[(5-allyl-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]-1-(4-bromobenzyl)piperidin-1-ium-4-carbohydrazide Formula: C23H27BrN3O2+ MolecularWeight: 457.38338

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC(=CNNC(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)Br)C1=O

Isomeric SMILES

C=CCC1=CC=CC(=CNNC(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)Br)C1=O

InChI

InChI=1S/C23H26BrN3O2/c1-2-4-18-5-3-6-20(22(18)28)15-25-26-23(29)19-11-13-27(14-12-19)16-17-7-9-21(24)10-8-17/h2-3,5-10,15,19,25H,1,4,11-14,16H2,(H,26,29)/p+1