N-(4-bromanyl-3-methyl-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C18H20BrN2O+ MolecularWeight: 360.2682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C[NH+]2CCC3=CC=CC=C3C2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C[NH+]2CCC3=CC=CC=C3C2)Br

InChI

InChI=1S/C18H19BrN2O/c1-13-10-16(6-7-17(13)19)20-18(22)12-21-9-8-14-4-2-3-5-15(14)11-21/h2-7,10H,8-9,11-12H2,1H3,(H,20,22)/p+1