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

Systemtic Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-nitro-benzamide Openeye Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-nitro-benzamide CAS Name: N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-4-nitrobenzamide IUPAC Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-nitrobenzamide Traditional Name: N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]-4-nitro-benzamide Formula: C19H22N3O4+ MolecularWeight: 356.39568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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