5-bromanyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1H-indole-2-carboxamide

Systemtic Name: 5-bromanyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1H-indole-2-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-bromo-1H-indole-2-carboxamide CAS Name: 5-bromo-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-1H-indole-2-carboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-bromo-1H-indole-2-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-bromo-1H-indole-2-carboxamide Formula: C20H21BrN3O+ MolecularWeight: 399.30424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C2=CC3=C(N2)C=CC(=C3)Br)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)C2=CC3=C(N2)C=CC(=C3)Br)CC4=CC=CC=C4

InChI

InChI=1S/C20H20BrN3O/c21-16-6-7-18-15(10-16)11-19(23-18)20(25)22-17-8-9-24(13-17)12-14-4-2-1-3-5-14/h1-7,10-11,17,23H,8-9,12-13H2,(H,22,25)/p+1/t17-/m0/s1