N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-2-nitro-benzamide

Systemtic Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-2-nitro-benzamide Openeye Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-2-nitro-benzamide CAS Name: N-[4-(4-morpholin-4-iumylmethyl)phenyl]-2-nitrobenzamide IUPAC Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-2-nitrobenzamide Traditional Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-2-nitro-benzamide Formula: C18H20N3O4+ MolecularWeight: 342.3691

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4/c22-18(16-3-1-2-4-17(16)21(23)24)19-15-7-5-14(6-8-15)13-20-9-11-25-12-10-20/h1-8H,9-13H2,(H,19,22)/p+1