tert-butyl (3S)-3-(3-hydroxyphenyl)piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-(3-hydroxyphenyl)piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl (3S)-3-(3-hydroxyphenyl)piperazin-4-ium-1-carboxylate CAS Name: (3S)-3-(3-hydroxyphenyl)-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(3-hydroxyphenyl)piperazin-4-ium-1-carboxylate Traditional Name: (3S)-3-(3-hydroxyphenyl)piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C15H23N2O3+ MolecularWeight: 279.35472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH2+]C(C1)C2=CC(=CC=C2)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH2+][C@H](C1)C2=CC(=CC=C2)O

InChI

InChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)17-8-7-16-13(10-17)11-5-4-6-12(18)9-11/h4-6,9,13,16,18H,7-8,10H2,1-3H3/p+1/t13-/m1/s1