tert-butyl N-[(2R)-1-[2,3-dihydro-1-benzofuran-5-ylcarbonyl(2-pyrrolidin-1-ium-1-ylethyl)amino]propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-1-[2,3-dihydro-1-benzofuran-5-ylcarbonyl(2-pyrrolidin-1-ium-1-ylethyl)amino]propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-2-[2,3-dihydrobenzofuran-5-carbonyl(2-pyrrolidin-1-ium-1-ylethyl)amino]-1-methyl-ethyl]carbamate CAS Name: N-[(2R)-1-[[2,3-dihydrobenzofuran-5-yl(oxo)methyl]-[2-(1-pyrrolidin-1-iumyl)ethyl]amino]propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-[2,3-dihydro-1-benzofuran-5-carbonyl(2-pyrrolidin-1-ium-1-ylethyl)amino]propan-2-yl]carbamate Traditional Name: N-[(1R)-2-[coumaran-5-carbonyl(2-pyrrolidin-1-ium-1-ylethyl)amino]-1-methyl-ethyl]carbamic acid tert-butyl ester Formula: C23H36N3O4+ MolecularWeight: 418.54964

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(CC[NH+]1CCCC1)C(=O)C2=CC3=C(C=C2)OCC3)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](CN(CC[NH+]1CCCC1)C(=O)C2=CC3=C(C=C2)OCC3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H35N3O4/c1-17(24-22(28)30-23(2,3)4)16-26(13-12-25-10-5-6-11-25)21(27)19-7-8-20-18(15-19)9-14-29-20/h7-8,15,17H,5-6,9-14,16H2,1-4H3,(H,24,28)/p+1/t17-/m1/s1