5-(1-benzofuran-2-yl)-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1,2,4-triazin-3-amine

Systemtic Name: 5-(1-benzofuran-2-yl)-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1,2,4-triazin-3-amine Openeye Name: 5-(benzofuran-2-yl)-N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-1,2,4-triazin-3-amine CAS Name: 5-(2-benzofuranyl)-N-[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-1,2,4-triazin-3-amine IUPAC Name: 5-(1-benzofuran-2-yl)-N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-1,2,4-triazin-3-amine Traditional Name: [5-(benzofuran-2-yl)-1,2,4-triazin-3-yl]-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]amine Formula: C22H22N5O+ MolecularWeight: 372.44298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC2=NC(=CN=N2)C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](C[C@@H]1NC2=NC(=CN=N2)C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5

InChI

InChI=1S/C22H21N5O/c1-2-6-16(7-3-1)14-27-11-10-18(15-27)24-22-25-19(13-23-26-22)21-12-17-8-4-5-9-20(17)28-21/h1-9,12-13,18H,10-11,14-15H2,(H,24,25,26)/p+1/t18-/m1/s1