2-(3-bromanylpropyl)-1-isoquinolin-1-yl-isoquinolin-2-ium bromide

Systemtic Name: 2-(3-bromanylpropyl)-1-isoquinolin-1-yl-isoquinolin-2-ium bromide Openeye Name: 2-(3-bromopropyl)-1-(1-isoquinolyl)isoquinolin-2-ium bromide CAS Name: 2-(3-bromopropyl)-1-(1-isoquinolinyl)isoquinolin-2-ium bromide IUPAC Name: 2-(3-bromopropyl)-1-isoquinolin-1-ylisoquinolin-2-ium bromide Traditional Name: 2-(3-bromopropyl)-1-(1-isoquinolyl)isoquinolin-2-ium bromide Formula: C21H18Br2N2 MolecularWeight: 458.18902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2C3=[N+](C=CC4=CC=CC=C43)CCCBr.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2C3=[N+](C=CC4=CC=CC=C43)CCCBr.[Br-]

InChI

InChI=1S/C21H18BrN2.BrH/c22-12-5-14-24-15-11-17-7-2-4-9-19(17)21(24)20-18-8-3-1-6-16(18)10-13-23-20;/h1-4,6-11,13,15H,5,12,14H2;1H/q+1;/p-1