2-[cyclopentyl-[(3-methylphenyl)methyl]azaniumyl]ethanoate

Systemtic Name: 2-[cyclopentyl-[(3-methylphenyl)methyl]azaniumyl]ethanoate Openeye Name: 2-[cyclopentyl(m-tolylmethyl)ammonio]acetate CAS Name: 2-[cyclopentyl-[(3-methylphenyl)methyl]ammonio]acetate IUPAC Name: 2-[cyclopentyl-[(3-methylphenyl)methyl]azaniumyl]acetate Traditional Name: 2-[cyclopentyl-(3-methylbenzyl)ammonio]acetate Formula: C15H21NO2 MolecularWeight: 247.33274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+](CC(=O)[O-])C2CCCC2

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+](CC(=O)[O-])C2CCCC2

InChI

InChI=1S/C15H21NO2/c1-12-5-4-6-13(9-12)10-16(11-15(17)18)14-7-2-3-8-14/h4-6,9,14H,2-3,7-8,10-11H2,1H3,(H,17,18)