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

Systemtic Name: 1-[(3-methylphenyl)methyl]piperazin-4-ium-2-one Openeye Name: 1-(m-tolylmethyl)piperazin-4-ium-2-one CAS Name: 1-[(3-methylphenyl)methyl]-2-piperazin-4-iumone IUPAC Name: 1-[(3-methylphenyl)methyl]piperazin-4-ium-2-one Traditional Name: 1-(3-methylbenzyl)piperazin-4-ium-2-one Formula: C12H17N2O+ MolecularWeight: 205.27618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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