5-bromanyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1H-indole-2-carboxamide

Systemtic Name: 5-bromanyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1H-indole-2-carboxamide Openeye Name: 5-bromo-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1H-indole-2-carboxamide CAS Name: 5-bromo-N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1H-indole-2-carboxamide IUPAC Name: 5-bromo-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-1H-indole-2-carboxamide Traditional Name: 5-bromo-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1H-indole-2-carboxamide Formula: C22H25BrN3O2+ MolecularWeight: 443.3568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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