3-bromanyl-N-[[4-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]methyl]benzamide

Systemtic Name: 3-bromanyl-N-[[4-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]methyl]benzamide Openeye Name: 3-bromo-N-[[4-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]methyl]benzamide CAS Name: 3-bromo-N-[[4-[[3-(4-morpholin-4-iumyl)propylamino]-oxomethyl]phenyl]methyl]benzamide IUPAC Name: 3-bromo-N-[[4-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]methyl]benzamide Traditional Name: 3-bromo-N-[4-(3-morpholin-4-ium-4-ylpropylcarbamoyl)benzyl]benzamide Formula: C22H27BrN3O3+ MolecularWeight: 461.37208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=CC=C(C=C2)CNC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=CC=C(C=C2)CNC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C22H26BrN3O3/c23-20-4-1-3-19(15-20)22(28)25-16-17-5-7-18(8-6-17)21(27)24-9-2-10-26-11-13-29-14-12-26/h1,3-8,15H,2,9-14,16H2,(H,24,27)(H,25,28)/p+1