4-[(2R)-3-(2,5-dimethylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-2-one

Systemtic Name: 4-[(2R)-3-(2,5-dimethylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-2-one Openeye Name: 4-[(2R)-3-(2,5-dimethylphenoxy)-2-hydroxy-propyl]piperazin-4-ium-2-one CAS Name: 4-[(2R)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-2-piperazin-4-iumone IUPAC Name: 4-[(2R)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperazin-4-ium-2-one Traditional Name: 4-[(2R)-3-(2,5-dimethylphenoxy)-2-hydroxy-propyl]piperazin-4-ium-2-one Formula: C15H23N2O3+ MolecularWeight: 279.35472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(C[NH+]2CCNC(=O)C2)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC[C@@H](C[NH+]2CCNC(=O)C2)O

InChI

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