(3R)-1-(2-bromophenyl)-5-oxidanylidene-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrrolidine-3-carboxamide

Systemtic Name: (3R)-1-(2-bromophenyl)-5-oxidanylidene-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrrolidine-3-carboxamide Openeye Name: (3R)-N-(1-benzylpiperidin-1-ium-4-yl)-1-(2-bromophenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3R)-1-(2-bromophenyl)-5-oxo-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-pyrrolidinecarboxamide IUPAC Name: (3R)-N-(1-benzylpiperidin-1-ium-4-yl)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3R)-N-(1-benzylpiperidin-1-ium-4-yl)-1-(2-bromophenyl)-5-keto-pyrrolidine-3-carboxamide Formula: C23H27BrN3O2+ MolecularWeight: 457.38338

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2CC(=O)N(C2)C3=CC=CC=C3Br)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)[C@@H]2CC(=O)N(C2)C3=CC=CC=C3Br)CC4=CC=CC=C4

InChI

InChI=1S/C23H26BrN3O2/c24-20-8-4-5-9-21(20)27-16-18(14-22(27)28)23(29)25-19-10-12-26(13-11-19)15-17-6-2-1-3-7-17/h1-9,18-19H,10-16H2,(H,25,29)/p+1/t18-/m1/s1