(3R)-N-(4-bromanyl-2-methyl-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-N-(4-bromanyl-2-methyl-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-N-(4-bromo-2-methyl-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-N-(4-bromo-2-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-N-(4-bromo-2-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-N-(4-bromo-2-methyl-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C17H18BrN2O+ MolecularWeight: 346.24162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C2CC3=CC=CC=C3C[NH2+]2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)[C@H]2CC3=CC=CC=C3C[NH2+]2

InChI

InChI=1S/C17H17BrN2O/c1-11-8-14(18)6-7-15(11)20-17(21)16-9-12-4-2-3-5-13(12)10-19-16/h2-8,16,19H,9-10H2,1H3,(H,20,21)/p+1/t16-/m1/s1