tert-butyl 2-chloranyl-1-[(4-methoxycarbonylphenoxy)methyl]pyrrolidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 2-chloranyl-1-[(4-methoxycarbonylphenoxy)methyl]pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 2-chloro-1-[(4-methoxycarbonylphenoxy)methyl]pyrrolidin-1-ium-1-carboxylate CAS Name: 2-chloro-1-[(4-methoxycarbonylphenoxy)methyl]-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-chloro-1-[(4-methoxycarbonylphenoxy)methyl]pyrrolidin-1-ium-1-carboxylate Traditional Name: 1-[(4-carbomethoxyphenoxy)methyl]-2-chloro-pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C18H25ClNO5+ MolecularWeight: 370.8478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCCC1Cl)COC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCCC1Cl)COC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H25ClNO5/c1-18(2,3)25-17(22)20(11-5-6-15(20)19)12-24-14-9-7-13(8-10-14)16(21)23-4/h7-10,15H,5-6,11-12H2,1-4H3/q+1