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

Systemtic Name: 1-[(2-methylphenyl)methyl]piperidin-1-ium-4-one Openeye Name: 1-(o-tolylmethyl)piperidin-1-ium-4-one CAS Name: 1-[(2-methylphenyl)methyl]-4-piperidin-1-iumone IUPAC Name: 1-[(2-methylphenyl)methyl]piperidin-1-ium-4-one Traditional Name: 1-(2-methylbenzyl)piperidin-1-ium-4-one Formula: C13H18NO+ MolecularWeight: 204.28812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(=O)CC2

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(=O)CC2

InChI

InChI=1S/C13H17NO/c1-11-4-2-3-5-12(11)10-14-8-6-13(15)7-9-14/h2-5H,6-10H2,1H3/p+1