cyclooctyl-[(3S,5S)-1-(2,3-dihydro-1H-inden-2-yl)-5-(pyridin-3-ylmethylcarbamoyl)pyrrolidin-3-yl]azanium

Systemtic Name: cyclooctyl-[(3S,5S)-1-(2,3-dihydro-1H-inden-2-yl)-5-(pyridin-3-ylmethylcarbamoyl)pyrrolidin-3-yl]azanium Openeye Name: cyclooctyl-[(3S,5S)-1-indan-2-yl-5-(3-pyridylmethylcarbamoyl)pyrrolidin-3-yl]ammonium CAS Name: cyclooctyl-[(3S,5S)-1-(2,3-dihydro-1H-inden-2-yl)-5-[oxo-(3-pyridinylmethylamino)methyl]-3-pyrrolidinyl]ammonium IUPAC Name: cyclooctyl-[(3S,5S)-1-(2,3-dihydro-1H-inden-2-yl)-5-(pyridin-3-ylmethylcarbamoyl)pyrrolidin-3-yl]azanium Traditional Name: cyclooctyl-[(3S,5S)-1-indan-2-yl-5-(3-pyridylmethylcarbamoyl)pyrrolidin-3-yl]ammonium Formula: C28H39N4O+ MolecularWeight: 447.63546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)[NH2+]C2CC(N(C2)C3CC4=CC=CC=C4C3)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

C1CCCC(CCC1)[NH2+][C@H]2C[C@H](N(C2)C3CC4=CC=CC=C4C3)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C28H38N4O/c33-28(30-19-21-9-8-14-29-18-21)27-17-25(31-24-12-4-2-1-3-5-13-24)20-32(27)26-15-22-10-6-7-11-23(22)16-26/h6-11,14,18,24-27,31H,1-5,12-13,15-17,19-20H2,(H,30,33)/p+1/t25-,27-/m0/s1