N-(3-chloranyl-4-methoxy-phenyl)-2-isoquinolin-2-ium-2-yl-ethanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-isoquinolin-2-ium-2-yl-acetamide Formula: C18H16ClN2O2+ MolecularWeight: 327.78484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2)Cl

InChI

InChI=1S/C18H15ClN2O2/c1-23-17-7-6-15(10-16(17)19)20-18(22)12-21-9-8-13-4-2-3-5-14(13)11-21/h2-11H,12H2,1H3/p+1