5-[methyl-[(4-methylphenyl)methyl]azaniumyl]pentanoate

Systemtic Name: 5-[methyl-[(4-methylphenyl)methyl]azaniumyl]pentanoate Openeye Name: 5-[methyl(p-tolylmethyl)ammonio]pentanoate CAS Name: 5-[methyl-[(4-methylphenyl)methyl]ammonio]pentanoate IUPAC Name: 5-[methyl-[(4-methylphenyl)methyl]azaniumyl]pentanoate Traditional Name: 5-[methyl-(4-methylbenzyl)ammonio]valerate Formula: C14H21NO2 MolecularWeight: 235.32204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO2/c1-12-6-8-13(9-7-12)11-15(2)10-4-3-5-14(16)17/h6-9H,3-5,10-11H2,1-2H3,(H,16,17)