N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-nitro-benzamide

Systemtic Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-nitro-benzamide Openeye Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-nitro-benzamide CAS Name: N-[(1R)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-3-nitrobenzamide IUPAC Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-3-nitrobenzamide Traditional Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-nitro-benzamide Formula: C19H22N3O4+ MolecularWeight: 356.39568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1C[C@@H](C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4/c23-19(16-7-4-8-17(13-16)22(24)25)20-18(15-5-2-1-3-6-15)14-21-9-11-26-12-10-21/h1-8,13,18H,9-12,14H2,(H,20,23)/p+1/t18-/m0/s1