3-bromanyl-N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 3-bromanyl-N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 3-bromo-N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: 3-bromo-N-[(2R)-2-(4-dimethylaminophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 3-bromo-N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide Traditional Name: 3-bromo-N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C21H27BrN3O+ MolecularWeight: 417.36258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)Br)[NH+]3CCCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H](CNC(=O)C2=CC(=CC=C2)Br)[NH+]3CCCC3

InChI

InChI=1S/C21H26BrN3O/c1-24(2)19-10-8-16(9-11-19)20(25-12-3-4-13-25)15-23-21(26)17-6-5-7-18(22)14-17/h5-11,14,20H,3-4,12-13,15H2,1-2H3,(H,23,26)/p+1/t20-/m0/s1