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

Systemtic Name: 4-[(2R)-3-(3-ethylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-2-one Openeye Name: 4-[(2R)-3-(3-ethylphenoxy)-2-hydroxy-propyl]piperazin-4-ium-2-one CAS Name: 4-[(2R)-3-(3-ethylphenoxy)-2-hydroxypropyl]-2-piperazin-4-iumone IUPAC Name: 4-[(2R)-3-(3-ethylphenoxy)-2-hydroxypropyl]piperazin-4-ium-2-one Traditional Name: 4-[(2R)-3-(3-ethylphenoxy)-2-hydroxy-propyl]piperazin-4-ium-2-one Formula: C15H23N2O3+ MolecularWeight: 279.35472

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(C[NH+]2CCNC(=O)C2)O

Isomeric SMILES

CCC1=CC(=CC=C1)OC[C@@H](C[NH+]2CCNC(=O)C2)O

InChI

InChI=1S/C15H22N2O3/c1-2-12-4-3-5-14(8-12)20-11-13(18)9-17-7-6-16-15(19)10-17/h3-5,8,13,18H,2,6-7,9-11H2,1H3,(H,16,19)/p+1/t13-/m1/s1