(2R)-2-(5-bromanyl-1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoate

Systemtic Name: (2R)-2-(5-bromanyl-1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoate Openeye Name: (2R)-2-(5-bromo-1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetate CAS Name: (2R)-2-(5-bromo-1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetate IUPAC Name: (2R)-2-(5-bromo-1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetate Traditional Name: (2R)-2-(5-bromo-1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetate Formula: C19H17BrN2O2 MolecularWeight: 385.25448

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)C(C3=CNC4=C3C=C(C=C4)Br)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)[C@H](C3=CNC4=C3C=C(C=C4)Br)C(=O)[O-]

InChI

InChI=1S/C19H17BrN2O2/c20-14-5-6-17-15(9-14)16(10-21-17)18(19(23)24)22-8-7-12-3-1-2-4-13(12)11-22/h1-6,9-10,18,21H,7-8,11H2,(H,23,24)/t18-/m1/s1