tert-butyl 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetic acid tert-butyl ester Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C[NH+]1CCN(CC1)C2=CC=CC=C2O

Isomeric SMILES

CC(C)(C)OC(=O)C[NH+]1CCN(CC1)C2=CC=CC=C2O

InChI

InChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)12-17-8-10-18(11-9-17)13-6-4-5-7-14(13)19/h4-7,19H,8-12H2,1-3H3/p+1