5-bromanyl-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1H-indole-2-carboxamide

Systemtic Name: 5-bromanyl-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1H-indole-2-carboxamide Openeye Name: 5-bromo-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1H-indole-2-carboxamide CAS Name: 5-bromo-N-[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1H-indole-2-carboxamide IUPAC Name: 5-bromo-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-1H-indole-2-carboxamide Traditional Name: 5-bromo-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1H-indole-2-carboxamide Formula: C22H25BrN3O2+ MolecularWeight: 443.3568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)C2=CC3=C(N2)C=CC(=C3)Br)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)[C@H](CNC(=O)C2=CC3=C(N2)C=CC(=C3)Br)[NH+]4CCCC4

InChI

InChI=1S/C22H24BrN3O2/c1-28-18-6-4-5-15(12-18)21(26-9-2-3-10-26)14-24-22(27)20-13-16-11-17(23)7-8-19(16)25-20/h4-8,11-13,21,25H,2-3,9-10,14H2,1H3,(H,24,27)/p+1/t21-/m0/s1