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6-Amino-4-[3-amino-4-({4-[1-(2-carbamimidoylhydrazinyl)ethylidene]cyclohexa-2,5-dien-1-ylidene}carbamoyl)anilino]-1-methylquinolin-1-ium bromide--hydrogen bromide (1/1/1)

HCID 9554249
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Basic information

CAS
53222-75-6
Standard SMILES
Br.C/C(=N\N=C(N)N)c1ccc(NC(=O)c2ccc(Nc3cc[n+](C)c4ccc(N)cc34)cc2N)cc1.[Br-]
InChIKey
XHXUVCFUEUWPNM-UHFFFAOYSA-N
Molecular formula
C26H29Br2N9O
Average molar mass
643.388 g/mol
Monoisotopic mass
641.08618075

Names & identifiers

Preferred name
6-Amino-4-[3-amino-4-({4-[1-(2-carbamimidoylhydrazinyl)ethylidene]cyclohexa-2,5-dien-1-ylidene}carbamoyl)anilino]-1-methylquinolin-1-ium bromide--hydrogen bromide (1/1/1)
IUPAC
6-Amino-4-[3-amino-4-({(1Z,4Z)-4-[1-(2-carbamimidoylhydrazinyl)ethylidene]cyclohexa-2,5-dien-1-ylidene}carbamoyl)anilino]-1-methylquinolin-1-ium bromide--hydrogen bromide (1/1/1)

Database identifiers

CAS
53222-75-6
PubChem CID
9554249
DTXSID
DTXSID10967776
ChEMBL
CHEMBL3230814

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