5-bromanyl-2-chloranyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 5-bromanyl-2-chloranyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide CAS Name: 5-bromo-2-chloro-N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Formula: C18H21BrClN2O2+ MolecularWeight: 412.72854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=C(C=CC(=C2)Br)Cl)C3=CC=CO3

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=C(C=CC(=C2)Br)Cl)C3=CC=CO3

InChI

InChI=1S/C18H20BrClN2O2/c19-13-6-7-15(20)14(11-13)18(23)21-12-16(17-5-4-10-24-17)22-8-2-1-3-9-22/h4-7,10-11,16H,1-3,8-9,12H2,(H,21,23)/p+1/t16-/m0/s1