4-[(2,5-dimethylphenyl)methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[(2,5-dimethylphenyl)methyl]piperazin-4-ium-2-one Openeye Name: 4-[(2,5-dimethylphenyl)methyl]piperazin-4-ium-2-one CAS Name: 4-[(2,5-dimethylphenyl)methyl]-2-piperazin-4-iumone IUPAC Name: 4-[(2,5-dimethylphenyl)methyl]piperazin-4-ium-2-one Traditional Name: 4-(2,5-dimethylbenzyl)piperazin-4-ium-2-one Formula: C13H19N2O+ MolecularWeight: 219.30276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O/c1-10-3-4-11(2)12(7-10)8-15-6-5-14-13(16)9-15/h3-4,7H,5-6,8-9H2,1-2H3,(H,14,16)/p+1