tert-butyl N-[(2R)-1-[pyridin-2-ylcarbonyl(2-pyrrolidin-1-ium-1-ylethyl)amino]propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-1-[pyridin-2-ylcarbonyl(2-pyrrolidin-1-ium-1-ylethyl)amino]propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-1-methyl-2-[pyridine-2-carbonyl(2-pyrrolidin-1-ium-1-ylethyl)amino]ethyl]carbamate CAS Name: N-[(2R)-1-[[oxo(2-pyridinyl)methyl]-[2-(1-pyrrolidin-1-iumyl)ethyl]amino]propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-[pyridine-2-carbonyl(2-pyrrolidin-1-ium-1-ylethyl)amino]propan-2-yl]carbamate Traditional Name: N-[(1R)-1-methyl-2-[picolinoyl(2-pyrrolidin-1-ium-1-ylethyl)amino]ethyl]carbamic acid tert-butyl ester Formula: C20H33N4O3+ MolecularWeight: 377.50102

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(CC[NH+]1CCCC1)C(=O)C2=CC=CC=N2)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](CN(CC[NH+]1CCCC1)C(=O)C2=CC=CC=N2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H32N4O3/c1-16(22-19(26)27-20(2,3)4)15-24(14-13-23-11-7-8-12-23)18(25)17-9-5-6-10-21-17/h5-6,9-10,16H,7-8,11-15H2,1-4H3,(H,22,26)/p+1/t16-/m1/s1