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

Systemtic Name: N'-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carbohydrazide Openeye Name: N'-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carbohydrazide CAS Name: N'-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-1-[(4-nitrophenyl)methyl]-4-piperidin-1-iumcarbohydrazide IUPAC Name: N'-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carbohydrazide Traditional Name: N'-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]-1-(4-nitrobenzyl)piperidin-1-ium-4-carbohydrazide Formula: C20H22BrN4O4+ MolecularWeight: 462.31708

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NNC=C2C=C(C=CC2=O)Br)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C(=O)NNC=C2C=C(C=CC2=O)Br)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21BrN4O4/c21-17-3-6-19(26)16(11-17)12-22-23-20(27)15-7-9-24(10-8-15)13-14-1-4-18(5-2-14)25(28)29/h1-6,11-12,15,22H,7-10,13H2,(H,23,27)/p+1