N-(4-bromanyl-3-methyl-phenyl)-2-isoquinolin-2-ium-2-yl-ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-isoquinolin-2-ium-2-yl-acetamide Formula: C18H16BrN2O+ MolecularWeight: 356.23644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2)Br

InChI

InChI=1S/C18H15BrN2O/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/h2-11H,12H2,1H3/p+1