2-[(4-dimethylaminophenyl)methyl-methyl-azaniumyl]ethanoate

Systemtic Name: 2-[(4-dimethylaminophenyl)methyl-methyl-azaniumyl]ethanoate Openeye Name: 2-[(4-dimethylaminophenyl)methyl-methyl-ammonio]acetate CAS Name: 2-[(4-dimethylaminophenyl)methyl-methylammonio]acetate IUPAC Name: 2-[(4-dimethylaminophenyl)methyl-methylazaniumyl]acetate Traditional Name: 2-[[4-(dimethylamino)benzyl]-methyl-ammonio]acetate Formula: C12H18N2O2 MolecularWeight: 222.28352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O2/c1-13(2)11-6-4-10(5-7-11)8-14(3)9-12(15)16/h4-7H,8-9H2,1-3H3,(H,15,16)