[(3R,5S)-5-(diethylcarbamoyl)-1-(phenylmethyl)pyrrolidin-3-yl]-propan-2-yl-azanium

Systemtic Name: [(3R,5S)-5-(diethylcarbamoyl)-1-(phenylmethyl)pyrrolidin-3-yl]-propan-2-yl-azanium Openeye Name: [(3R,5S)-1-benzyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-isopropyl-ammonium CAS Name: [(3R,5S)-5-[diethylamino(oxo)methyl]-1-(phenylmethyl)-3-pyrrolidinyl]-propan-2-ylammonium IUPAC Name: [(3R,5S)-1-benzyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-propan-2-ylazanium Traditional Name: [(3R,5S)-1-benzyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-isopropyl-ammonium Formula: C19H32N3O+ MolecularWeight: 318.47688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CC(CN1CC2=CC=CC=C2)[NH2+]C(C)C

Isomeric SMILES

CCN(CC)C(=O)[C@@H]1C[C@H](CN1CC2=CC=CC=C2)[NH2+]C(C)C

InChI

InChI=1S/C19H31N3O/c1-5-21(6-2)19(23)18-12-17(20-15(3)4)14-22(18)13-16-10-8-7-9-11-16/h7-11,15,17-18,20H,5-6,12-14H2,1-4H3/p+1/t17-,18+/m1/s1