1-[4-[(2,5-dimethylphenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[(2,5-dimethylphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[(2,5-dimethylphenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[(2,5-dimethylphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[(2,5-dimethylphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-(2,5-dimethylbenzyl)piperazin-4-ium-1-yl]ethanone Formula: C15H23N2O+ MolecularWeight: 247.35592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C[NH+]2CCN(CC2)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C[NH+]2CCN(CC2)C(=O)C

InChI

InChI=1S/C15H22N2O/c1-12-4-5-13(2)15(10-12)11-16-6-8-17(9-7-16)14(3)18/h4-5,10H,6-9,11H2,1-3H3/p+1