N-(3-bromanyl-4-methyl-phenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(3-bromanyl-4-methyl-phenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(3-bromo-4-methyl-phenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(3-bromo-4-methylphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(3-bromo-4-methylphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(3-bromo-4-methyl-phenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C18H20BrN2O+ MolecularWeight: 360.2682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[N+]2=CC3=C(CCCC3)C=C2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[N+]2=CC3=C(CCCC3)C=C2)Br

InChI

InChI=1S/C18H19BrN2O/c1-13-6-7-16(10-17(13)19)20-18(22)12-21-9-8-14-4-2-3-5-15(14)11-21/h6-11H,2-5,12H2,1H3/p+1