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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC=CC=C2Br)[NH+]3CCCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H](CNC(=O)C2=CC=CC=C2Br)[NH+]3CCCC3

InChI

InChI=1S/C21H26BrN3O/c1-24(2)17-11-9-16(10-12-17)20(25-13-5-6-14-25)15-23-21(26)18-7-3-4-8-19(18)22/h3-4,7-12,20H,5-6,13-15H2,1-2H3,(H,23,26)/p+1/t20-/m0/s1