tert-butyl N-(1-oxidanyl-3-phenyl-1-propyl-pyrrolidin-1-ium-2-yl)carbamate

Systemtic Name: tert-butyl N-(1-oxidanyl-3-phenyl-1-propyl-pyrrolidin-1-ium-2-yl)carbamate Openeye Name: tert-butyl N-(1-hydroxy-3-phenyl-1-propyl-pyrrolidin-1-ium-2-yl)carbamate CAS Name: N-(1-hydroxy-3-phenyl-1-propyl-2-pyrrolidin-1-iumyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(1-hydroxy-3-phenyl-1-propylpyrrolidin-1-ium-2-yl)carbamate Traditional Name: N-(1-hydroxy-3-phenyl-1-propyl-pyrrolidin-1-ium-2-yl)carbamic acid tert-butyl ester Formula: C18H29N2O3+ MolecularWeight: 321.43446

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCC(C1NC(=O)OC(C)(C)C)C2=CC=CC=C2)O

Isomeric SMILES

CCC[N+]1(CCC(C1NC(=O)OC(C)(C)C)C2=CC=CC=C2)O

InChI

InChI=1S/C18H28N2O3/c1-5-12-20(22)13-11-15(14-9-7-6-8-10-14)16(20)19-17(21)23-18(2,3)4/h6-10,15-16,22H,5,11-13H2,1-4H3/p+1