4-bromanyl-3,5-dimethoxy-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-bromanyl-3,5-dimethoxy-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-bromo-3,5-dimethoxy-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-bromo-3,5-dimethoxy-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-bromo-3,5-dimethoxy-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-bromo-3,5-dimethoxy-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]benzamide Formula: C21H26BrN2O4+ MolecularWeight: 450.34614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3

InChI

InChI=1S/C21H25BrN2O4/c1-26-18-11-17(12-19(27-2)20(18)22)21(25)23-13-15-5-3-4-6-16(15)14-24-7-9-28-10-8-24/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,23,25)/p+1