4-[3-(3-methylphenoxy)propyl]piperazin-4-ium-2-one

Systemtic Name: 4-[3-(3-methylphenoxy)propyl]piperazin-4-ium-2-one Openeye Name: 4-[3-(3-methylphenoxy)propyl]piperazin-4-ium-2-one CAS Name: 4-[3-(3-methylphenoxy)propyl]-2-piperazin-4-iumone IUPAC Name: 4-[3-(3-methylphenoxy)propyl]piperazin-4-ium-2-one Traditional Name: 4-[3-(3-methylphenoxy)propyl]piperazin-4-ium-2-one Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O2/c1-12-4-2-5-13(10-12)18-9-3-7-16-8-6-15-14(17)11-16/h2,4-5,10H,3,6-9,11H2,1H3,(H,15,17)/p+1