2-adamantyl-[(3S,5S)-5-(diethylcarbamoyl)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]azanium

Systemtic Name: 2-adamantyl-[(3S,5S)-5-(diethylcarbamoyl)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]azanium Openeye Name: 2-adamantyl-[(3S,5S)-5-(diethylcarbamoyl)-1-indan-2-yl-pyrrolidin-3-yl]ammonium CAS Name: 2-adamantyl-[(3S,5S)-5-[diethylamino(oxo)methyl]-1-(2,3-dihydro-1H-inden-2-yl)-3-pyrrolidinyl]ammonium IUPAC Name: 2-adamantyl-[(3S,5S)-5-(diethylcarbamoyl)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]azanium Traditional Name: 2-adamantyl-[(3S,5S)-5-(diethylcarbamoyl)-1-indan-2-yl-pyrrolidin-3-yl]ammonium Formula: C28H42N3O+ MolecularWeight: 436.65258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CC(CN1C2CC3=CC=CC=C3C2)[NH2+]C4C5CC6CC(C5)CC4C6

Isomeric SMILES

CCN(CC)C(=O)[C@@H]1C[C@@H](CN1C2CC3=CC=CC=C3C2)[NH2+]C4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C28H41N3O/c1-3-30(4-2)28(32)26-16-24(17-31(26)25-14-20-7-5-6-8-21(20)15-25)29-27-22-10-18-9-19(12-22)13-23(27)11-18/h5-8,18-19,22-27,29H,3-4,9-17H2,1-2H3/p+1/t18?,19?,22?,23?,24-,26-,27?/m0/s1