2-bromanyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyridin-3-olate

Systemtic Name: 2-bromanyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyridin-3-olate Openeye Name: 2-bromo-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyridin-3-olate CAS Name: 2-bromo-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3-pyridinolate IUPAC Name: 2-bromo-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyridin-3-olate Traditional Name: 2-bromo-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyridin-3-olate Formula: C15H15BrN2O MolecularWeight: 319.1964

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=C(C(=NC=C3)Br)[O-]

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=C(C(=NC=C3)Br)[O-]

InChI

InChI=1S/C15H15BrN2O/c16-15-14(19)13(5-7-17-15)10-18-8-6-11-3-1-2-4-12(11)9-18/h1-5,7,19H,6,8-10H2