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

Systemtic Name: 1-[(3-methylphenyl)methyl]piperidin-1-ium-4-one Openeye Name: 1-(m-tolylmethyl)piperidin-1-ium-4-one CAS Name: 1-[(3-methylphenyl)methyl]-4-piperidin-1-iumone IUPAC Name: 1-[(3-methylphenyl)methyl]piperidin-1-ium-4-one Traditional Name: 1-(3-methylbenzyl)piperidin-1-ium-4-one Formula: C13H18NO+ MolecularWeight: 204.28812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCC(=O)CC2

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC(=O)CC2

InChI

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