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

Systemtic Name: 4-[3-(3,5-dimethylphenoxy)propyl]piperazin-4-ium-2-one Openeye Name: 4-[3-(3,5-dimethylphenoxy)propyl]piperazin-4-ium-2-one CAS Name: 4-[3-(3,5-dimethylphenoxy)propyl]-2-piperazin-4-iumone IUPAC Name: 4-[3-(3,5-dimethylphenoxy)propyl]piperazin-4-ium-2-one Traditional Name: 4-[3-(3,5-dimethylphenoxy)propyl]piperazin-4-ium-2-one Formula: C15H23N2O2+ MolecularWeight: 263.35532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O2/c1-12-8-13(2)10-14(9-12)19-7-3-5-17-6-4-16-15(18)11-17/h8-10H,3-7,11H2,1-2H3,(H,16,18)/p+1