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

Systemtic Name: [(3R,5S)-1-(phenylmethyl)-5-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-propan-2-yl-azanium Openeye Name: [(3R,5S)-1-benzyl-5-(isopropylcarbamoyl)pyrrolidin-3-yl]-isopropyl-ammonium CAS Name: [(3R,5S)-5-[oxo-(propan-2-ylamino)methyl]-1-(phenylmethyl)-3-pyrrolidinyl]-propan-2-ylammonium IUPAC Name: [(3R,5S)-1-benzyl-5-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-propan-2-ylazanium Traditional Name: [(3R,5S)-1-benzyl-5-(isopropylcarbamoyl)pyrrolidin-3-yl]-isopropyl-ammonium Formula: C18H30N3O+ MolecularWeight: 304.4503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]C1CC(N(C1)CC2=CC=CC=C2)C(=O)NC(C)C

Isomeric SMILES

CC(C)[NH2+][C@@H]1C[C@H](N(C1)CC2=CC=CC=C2)C(=O)NC(C)C

InChI

InChI=1S/C18H29N3O/c1-13(2)19-16-10-17(18(22)20-14(3)4)21(12-16)11-15-8-6-5-7-9-15/h5-9,13-14,16-17,19H,10-12H2,1-4H3,(H,20,22)/p+1/t16-,17+/m1/s1