2-pyren-1-ylisoquinolin-2-ium-3-carbaldehyde bromide

Systemtic Name: 2-pyren-1-ylisoquinolin-2-ium-3-carbaldehyde bromide Openeye Name: 2-pyren-1-ylisoquinolin-2-ium-3-carbaldehyde bromide CAS Name: 2-(1-pyrenyl)-3-isoquinolin-2-iumcarboxaldehyde bromide IUPAC Name: 2-pyren-1-ylisoquinolin-2-ium-3-carbaldehyde bromide Traditional Name: 2-pyren-1-ylisoquinolin-2-ium-3-carbaldehyde bromide Formula: C26H16BrNO MolecularWeight: 438.31534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C(=CC2=C1)C=O)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3.[Br-]

Isomeric SMILES

C1=CC=C2C=[N+](C(=CC2=C1)C=O)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3.[Br-]

InChI

InChI=1S/C26H16NO.BrH/c28-16-22-14-20-4-1-2-5-21(20)15-27(22)24-13-11-19-9-8-17-6-3-7-18-10-12-23(24)26(19)25(17)18;/h1-16H;1H/q+1;/p-1