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

Systemtic Name: N-(5-chloranyl-2-nitro-phenyl)-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-(5-chloro-2-nitro-phenyl)-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-(5-chloro-2-nitrophenyl)-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-(5-chloro-2-nitrophenyl)-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-(5-chloro-2-nitro-phenyl)-2-isoquinolin-2-ium-2-yl-acetamide Formula: C17H13ClN3O3+ MolecularWeight: 342.75642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)NC3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)NC3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H12ClN3O3/c18-14-5-6-16(21(23)24)15(9-14)19-17(22)11-20-8-7-12-3-1-2-4-13(12)10-20/h1-10H,11H2/p+1