tert-butyl 3-chloranyl-1-[(4-methoxycarbonylphenoxy)methyl]pyrrolidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 3-chloranyl-1-[(4-methoxycarbonylphenoxy)methyl]pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 3-chloro-1-[(4-methoxycarbonylphenoxy)methyl]pyrrolidin-1-ium-1-carboxylate CAS Name: 3-chloro-1-[(4-methoxycarbonylphenoxy)methyl]-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-chloro-1-[(4-methoxycarbonylphenoxy)methyl]pyrrolidin-1-ium-1-carboxylate Traditional Name: 1-[(4-carbomethoxyphenoxy)methyl]-3-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(CCC(C1)Cl)COC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCC(C1)Cl)COC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H25ClNO5/c1-18(2,3)25-17(22)20(10-9-14(19)11-20)12-24-15-7-5-13(6-8-15)16(21)23-4/h5-8,14H,9-12H2,1-4H3/q+1