1-[(3,4-dimethylphenyl)methyl]piperazin-4-ium-2-one

Systemtic Name: 1-[(3,4-dimethylphenyl)methyl]piperazin-4-ium-2-one Openeye Name: 1-[(3,4-dimethylphenyl)methyl]piperazin-4-ium-2-one CAS Name: 1-[(3,4-dimethylphenyl)methyl]-2-piperazin-4-iumone IUPAC Name: 1-[(3,4-dimethylphenyl)methyl]piperazin-4-ium-2-one Traditional Name: 1-(3,4-dimethylbenzyl)piperazin-4-ium-2-one Formula: C13H19N2O+ MolecularWeight: 219.30276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2CC[NH2+]CC2=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)CN2CC[NH2+]CC2=O)C

InChI

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