methyl 2-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]ethanoate

Systemtic Name: methyl 2-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]ethanoate Openeye Name: methyl 2-[1-(m-tolylmethyl)piperidin-1-ium-4-yl]acetate CAS Name: 2-[1-[(3-methylphenyl)methyl]-4-piperidin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]acetate Traditional Name: 2-[1-(3-methylbenzyl)piperidin-1-ium-4-yl]acetic acid methyl ester Formula: C16H24NO2+ MolecularWeight: 262.36726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO2/c1-13-4-3-5-15(10-13)12-17-8-6-14(7-9-17)11-16(18)19-2/h3-5,10,14H,6-9,11-12H2,1-2H3/p+1