N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-3-nitro-benzamide

Systemtic Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-3-nitro-benzamide Openeye Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-3-nitro-benzamide CAS Name: N-[4-(4-morpholin-4-iumylmethyl)phenyl]-3-nitrobenzamide IUPAC Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-3-nitrobenzamide Traditional Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-3-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(15-2-1-3-17(12-15)21(23)24)19-16-6-4-14(5-7-16)13-20-8-10-25-11-9-20/h1-7,12H,8-11,13H2,(H,19,22)/p+1