(2R)-2-isoquinolin-2-ium-2-yl-N-(2-nitrophenyl)propanamide

Systemtic Name: (2R)-2-isoquinolin-2-ium-2-yl-N-(2-nitrophenyl)propanamide Openeye Name: (2R)-2-isoquinolin-2-ium-2-yl-N-(2-nitrophenyl)propanamide CAS Name: (2R)-2-(2-isoquinolin-2-iumyl)-N-(2-nitrophenyl)propanamide IUPAC Name: (2R)-2-isoquinolin-2-ium-2-yl-N-(2-nitrophenyl)propanamide Traditional Name: (2R)-2-isoquinolin-2-ium-2-yl-N-(2-nitrophenyl)propionamide Formula: C18H16N3O3+ MolecularWeight: 322.33794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C18H15N3O3/c1-13(20-11-10-14-6-2-3-7-15(14)12-20)18(22)19-16-8-4-5-9-17(16)21(23)24/h2-13H,1H3/p+1/t13-/m1/s1