4-[(4-dimethylaminophenyl)methyl-methyl-azaniumyl]butanoate

Systemtic Name: 4-[(4-dimethylaminophenyl)methyl-methyl-azaniumyl]butanoate Openeye Name: 4-[(4-dimethylaminophenyl)methyl-methyl-ammonio]butanoate CAS Name: 4-[(4-dimethylaminophenyl)methyl-methylammonio]butanoate IUPAC Name: 4-[(4-dimethylaminophenyl)methyl-methylazaniumyl]butanoate Traditional Name: 4-[[4-(dimethylamino)benzyl]-methyl-ammonio]butyrate Formula: C14H22N2O2 MolecularWeight: 250.33668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O2/c1-15(2)13-8-6-12(7-9-13)11-16(3)10-4-5-14(17)18/h6-9H,4-5,10-11H2,1-3H3,(H,17,18)