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

Systemtic Name: 4-[(4-bromanylphenoxy)methyl]-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide Openeye Name: 4-[(4-bromophenoxy)methyl]-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide CAS Name: 4-[(4-bromophenoxy)methyl]-N-[3-(4-morpholin-4-iumylmethyl)phenyl]benzamide IUPAC Name: 4-[(4-bromophenoxy)methyl]-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide Traditional Name: 4-[(4-bromophenoxy)methyl]-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide Formula: C25H26BrN2O3+ MolecularWeight: 482.38954

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)COC4=CC=C(C=C4)Br

Isomeric SMILES

C1COCC[NH+]1CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C25H25BrN2O3/c26-22-8-10-24(11-9-22)31-18-19-4-6-21(7-5-19)25(29)27-23-3-1-2-20(16-23)17-28-12-14-30-15-13-28/h1-11,16H,12-15,17-18H2,(H,27,29)/p+1