5-bromanyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-1H-indole-2-carboxamide

Systemtic Name: 5-bromanyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-1H-indole-2-carboxamide Openeye Name: 5-bromo-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-1H-indole-2-carboxamide CAS Name: 5-bromo-N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-1H-indole-2-carboxamide IUPAC Name: 5-bromo-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-1H-indole-2-carboxamide Traditional Name: 5-bromo-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-1H-indole-2-carboxamide Formula: C20H23BrN3O2+ MolecularWeight: 417.31952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=CC3=C(N2)C=CC(=C3)Br)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=CC3=C(N2)C=CC(=C3)Br)C4=CC=CO4

InChI

InChI=1S/C20H22BrN3O2/c21-15-6-7-16-14(11-15)12-17(23-16)20(25)22-13-18(19-5-4-10-26-19)24-8-2-1-3-9-24/h4-7,10-12,18,23H,1-3,8-9,13H2,(H,22,25)/p+1/t18-/m0/s1