N-[2,6-bis(chloranyl)-3-methyl-phenyl]-2-isoquinolin-2-ium-2-yl-ethanamide

Systemtic Name: N-[2,6-bis(chloranyl)-3-methyl-phenyl]-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-(2,6-dichloro-3-methyl-phenyl)-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-(2,6-dichloro-3-methylphenyl)-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-(2,6-dichloro-3-methylphenyl)-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-(2,6-dichloro-3-methyl-phenyl)-2-isoquinolin-2-ium-2-yl-acetamide Formula: C18H15Cl2N2O+ MolecularWeight: 346.2305

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14Cl2N2O/c1-12-6-7-15(19)18(17(12)20)21-16(23)11-22-9-8-13-4-2-3-5-14(13)10-22/h2-10H,11H2,1H3/p+1