2-adamantyl-[(3R,5S)-1-(2,2-diphenylethyl)-5-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]azanium

Systemtic Name: 2-adamantyl-[(3R,5S)-1-(2,2-diphenylethyl)-5-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]azanium Openeye Name: 2-adamantyl-[(3R,5S)-1-(2,2-diphenylethyl)-5-(isopropylcarbamoyl)pyrrolidin-3-yl]ammonium CAS Name: 2-adamantyl-[(3R,5S)-1-(2,2-diphenylethyl)-5-[oxo-(propan-2-ylamino)methyl]-3-pyrrolidinyl]ammonium IUPAC Name: 2-adamantyl-[(3R,5S)-1-(2,2-diphenylethyl)-5-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]azanium Traditional Name: 2-adamantyl-[(3R,5S)-1-(2,2-diphenylethyl)-5-(isopropylcarbamoyl)pyrrolidin-3-yl]ammonium Formula: C32H44N3O+ MolecularWeight: 486.71126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC(CN1CC(C2=CC=CC=C2)C3=CC=CC=C3)[NH2+]C4C5CC6CC(C5)CC4C6

Isomeric SMILES

CC(C)NC(=O)[C@@H]1C[C@H](CN1CC(C2=CC=CC=C2)C3=CC=CC=C3)[NH2+]C4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C32H43N3O/c1-21(2)33-32(36)30-18-28(34-31-26-14-22-13-23(16-26)17-27(31)15-22)19-35(30)20-29(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-12,21-23,26-31,34H,13-20H2,1-2H3,(H,33,36)/p+1/t22?,23?,26?,27?,28-,30+,31?/m1/s1