2-isoquinolin-2-ium-2-yl-N-(2-methyl-5-nitro-phenyl)ethanamide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-N-(2-methyl-5-nitro-phenyl)ethanamide Openeye Name: 2-isoquinolin-2-ium-2-yl-N-(2-methyl-5-nitro-phenyl)acetamide CAS Name: 2-(2-isoquinolin-2-iumyl)-N-(2-methyl-5-nitrophenyl)acetamide IUPAC Name: 2-isoquinolin-2-ium-2-yl-N-(2-methyl-5-nitrophenyl)acetamide Traditional Name: 2-isoquinolin-2-ium-2-yl-N-(2-methyl-5-nitro-phenyl)acetamide Formula: C18H16N3O3+ MolecularWeight: 322.33794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O3/c1-13-6-7-16(21(23)24)10-17(13)19-18(22)12-20-9-8-14-4-2-3-5-15(14)11-20/h2-11H,12H2,1H3/p+1