(2S,4R)-1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-4-[(1-phenethylpiperidin-1-ium-4-yl)amino]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-4-[(1-phenethylpiperidin-1-ium-4-yl)amino]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-1-indan-2-yl-N-methyl-4-[(1-phenethylpiperidin-1-ium-4-yl)amino]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-4-[(1-phenethyl-4-piperidin-1-iumyl)amino]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-4-[(1-phenethylpiperidin-1-ium-4-yl)amino]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-1-indan-2-yl-N-methyl-4-[(1-phenethylpiperidin-1-ium-4-yl)amino]pyrrolidin-1-ium-2-carboxamide Formula: C28H40N4O+2 MolecularWeight: 448.6434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC(C[NH+]1C2CC3=CC=CC=C3C2)NC4CC[NH+](CC4)CCC5=CC=CC=C5

Isomeric SMILES

CNC(=O)[C@@H]1C[C@H](C[NH+]1C2CC3=CC=CC=C3C2)NC4CC[NH+](CC4)CCC5=CC=CC=C5

InChI

InChI=1S/C28H38N4O/c1-29-28(33)27-19-25(20-32(27)26-17-22-9-5-6-10-23(22)18-26)30-24-12-15-31(16-13-24)14-11-21-7-3-2-4-8-21/h2-10,24-27,30H,11-20H2,1H3,(H,29,33)/p+2/t25-,27+/m1/s1