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4-[(3-methylphenyl)methylazaniumyl]butanoate

4-[(3-methylphenyl)methylazaniumyl]butanoate

Systemtic Name:4-[(3-methylphenyl)methylazaniumyl]butanoate
Openeye Name:4-(m-tolylmethylammonio)butanoate
CAS Name:4-[(3-methylphenyl)methylammonio]butanoate
IUPAC Name:4-[(3-methylphenyl)methylazaniumyl]butanoate
Traditional Name:4-[(3-methylbenzyl)ammonio]butyrate
Formula: C12H17NO2
MolecularWeight: 207.26888
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH2+]CCCC(=O)[O-]


Isomeric SMILES

CC1=CC(=CC=C1)C[NH2+]CCCC(=O)[O-]


InChI

InChI=1S/C12H17NO2/c1-10-4-2-5-11(8-10)9-13-7-3-6-12(14)15/h2,4-5,8,13H,3,6-7,9H2,1H3,(H,14,15)


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