(4-acetamidophenyl)methyl-[(3R)-1-(2,2-dimethylpropyl)-5-oxidanylidene-pyrrolidin-3-yl]azanium

Systemtic Name: (4-acetamidophenyl)methyl-[(3R)-1-(2,2-dimethylpropyl)-5-oxidanylidene-pyrrolidin-3-yl]azanium Openeye Name: (4-acetamidophenyl)methyl-[(3R)-1-(2,2-dimethylpropyl)-5-oxo-pyrrolidin-3-yl]ammonium CAS Name: (4-acetamidophenyl)methyl-[(3R)-1-(2,2-dimethylpropyl)-5-oxo-3-pyrrolidinyl]ammonium IUPAC Name: (4-acetamidophenyl)methyl-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]azanium Traditional Name: (4-acetamidobenzyl)-[(3R)-5-keto-1-neopentyl-pyrrolidin-3-yl]ammonium Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH2+]C2CC(=O)N(C2)CC(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH2+][C@@H]2CC(=O)N(C2)CC(C)(C)C

InChI

InChI=1S/C18H27N3O2/c1-13(22)20-15-7-5-14(6-8-15)10-19-16-9-17(23)21(11-16)12-18(2,3)4/h5-8,16,19H,9-12H2,1-4H3,(H,20,22)/p+1/t16-/m1/s1