[1-[(2-methylphenyl)methyl]-1-(phenylmethyl)piperidin-1-ium-3-yl] ethanoate

Systemtic Name: [1-[(2-methylphenyl)methyl]-1-(phenylmethyl)piperidin-1-ium-3-yl] ethanoate Openeye Name: [1-benzyl-1-(o-tolylmethyl)piperidin-1-ium-3-yl] acetate CAS Name: acetic acid [1-[(2-methylphenyl)methyl]-1-(phenylmethyl)-3-piperidin-1-iumyl] ester IUPAC Name: [1-benzyl-1-[(2-methylphenyl)methyl]piperidin-1-ium-3-yl] acetate Traditional Name: acetic acid [1-benzyl-1-(2-methylbenzyl)piperidin-1-ium-3-yl] ester Formula: C22H28NO2+ MolecularWeight: 338.46322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[N+]2(CCCC(C2)OC(=O)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C[N+]2(CCCC(C2)OC(=O)C)CC3=CC=CC=C3

InChI

InChI=1S/C22H28NO2/c1-18-9-6-7-12-21(18)16-23(15-20-10-4-3-5-11-20)14-8-13-22(17-23)25-19(2)24/h3-7,9-12,22H,8,13-17H2,1-2H3/q+1