4-[(2R)-3-(2-tert-butylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-2-one

Systemtic Name: 4-[(2R)-3-(2-tert-butylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-2-one Openeye Name: 4-[(2R)-3-(2-tert-butylphenoxy)-2-hydroxy-propyl]piperazin-4-ium-2-one CAS Name: 4-[(2R)-3-(2-tert-butylphenoxy)-2-hydroxypropyl]-2-piperazin-4-iumone IUPAC Name: 4-[(2R)-3-(2-tert-butylphenoxy)-2-hydroxypropyl]piperazin-4-ium-2-one Traditional Name: 4-[(2R)-3-(2-tert-butylphenoxy)-2-hydroxy-propyl]piperazin-4-ium-2-one Formula: C17H27N2O3+ MolecularWeight: 307.40788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCC(C[NH+]2CCNC(=O)C2)O

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OC[C@@H](C[NH+]2CCNC(=O)C2)O

InChI

InChI=1S/C17H26N2O3/c1-17(2,3)14-6-4-5-7-15(14)22-12-13(20)10-19-9-8-18-16(21)11-19/h4-7,13,20H,8-12H2,1-3H3,(H,18,21)/p+1/t13-/m1/s1