2-[1-(3,5-dimethylphenyl)-2-oxidanyl-piperazin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[1-(3,5-dimethylphenyl)-2-oxidanyl-piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[1-(3,5-dimethylphenyl)-2-hydroxy-piperazin-1-ium-1-yl]acetamide CAS Name: 2-[1-(3,5-dimethylphenyl)-2-hydroxy-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(3,5-dimethylphenyl)-2-hydroxypiperazin-1-ium-1-yl]acetamide Traditional Name: 2-[1-(3,5-dimethylphenyl)-2-hydroxy-piperazin-1-ium-1-yl]acetamide Formula: C14H22N3O2+ MolecularWeight: 264.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)[N+]2(CCNCC2O)CC(=O)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)[N+]2(CCNCC2O)CC(=O)N)C

InChI

InChI=1S/C14H21N3O2/c1-10-5-11(2)7-12(6-10)17(9-13(15)18)4-3-16-8-14(17)19/h5-7,14,16,19H,3-4,8-9H2,1-2H3,(H-,15,18)/p+1