3-[(4-ethylphenyl)methyl-methyl-azaniumyl]propanoate

Systemtic Name: 3-[(4-ethylphenyl)methyl-methyl-azaniumyl]propanoate Openeye Name: 3-[(4-ethylphenyl)methyl-methyl-ammonio]propanoate CAS Name: 3-[(4-ethylphenyl)methyl-methylammonio]propanoate IUPAC Name: 3-[(4-ethylphenyl)methyl-methylazaniumyl]propanoate Traditional Name: 3-[(4-ethylbenzyl)-methyl-ammonio]propionate Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+](C)CCC(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+](C)CCC(=O)[O-]

InChI

InChI=1S/C13H19NO2/c1-3-11-4-6-12(7-5-11)10-14(2)9-8-13(15)16/h4-7H,3,8-10H2,1-2H3,(H,15,16)