4-[(4-methylphenyl)methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[(4-methylphenyl)methyl]piperazin-4-ium-2-one Openeye Name: 4-(p-tolylmethyl)piperazin-4-ium-2-one CAS Name: 4-[(4-methylphenyl)methyl]-2-piperazin-4-iumone IUPAC Name: 4-[(4-methylphenyl)methyl]piperazin-4-ium-2-one Traditional Name: 4-(4-methylbenzyl)piperazin-4-ium-2-one Formula: C12H17N2O+ MolecularWeight: 205.27618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O/c1-10-2-4-11(5-3-10)8-14-7-6-13-12(15)9-14/h2-5H,6-9H2,1H3,(H,13,15)/p+1