N-[2,5-dimethoxy-4-(2-morpholin-4-ium-4-ylethanoylamino)phenyl]benzamide

Systemtic Name: N-[2,5-dimethoxy-4-(2-morpholin-4-ium-4-ylethanoylamino)phenyl]benzamide Openeye Name: N-[2,5-dimethoxy-4-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]benzamide CAS Name: N-[2,5-dimethoxy-4-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]phenyl]benzamide IUPAC Name: N-[2,5-dimethoxy-4-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]benzamide Traditional Name: N-[2,5-dimethoxy-4-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]benzamide Formula: C21H26N3O5+ MolecularWeight: 400.44824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)C[NH+]3CCOCC3

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C21H25N3O5/c1-27-18-13-17(23-21(26)15-6-4-3-5-7-15)19(28-2)12-16(18)22-20(25)14-24-8-10-29-11-9-24/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,25)(H,23,26)/p+1