tert-butyl 4-[(2E)-2-hydroxyimino-2-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-[(2E)-2-hydroxyimino-2-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[(2E)-2-hydroxyimino-2-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2E)-2-hydroxyimino-2-(4-methoxyphenyl)ethyl]-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2E)-2-hydroxyimino-2-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2E)-2-hydroximino-2-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C18H28N3O4+ MolecularWeight: 350.43262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH+](CC1)CC(=NO)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH+](CC1)C/C(=N/O)/C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H27N3O4/c1-18(2,3)25-17(22)21-11-9-20(10-12-21)13-16(19-23)14-5-7-15(24-4)8-6-14/h5-8,23H,9-13H2,1-4H3/p+1/b19-16-