N-(4,5-dimethyl-2-nitro-phenyl)-2-isoquinolin-2-ium-2-yl-ethanamide

Systemtic Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-(4,5-dimethyl-2-nitrophenyl)-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-(4,5-dimethyl-2-nitrophenyl)-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-isoquinolin-2-ium-2-yl-acetamide Formula: C19H18N3O3+ MolecularWeight: 336.36452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C19H17N3O3/c1-13-9-17(18(22(24)25)10-14(13)2)20-19(23)12-21-8-7-15-5-3-4-6-16(15)11-21/h3-11H,12H2,1-2H3/p+1