4-[[(4-dimethylaminophenyl)methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[(4-dimethylaminophenyl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(4-dimethylaminophenyl)methylammonio]methyl]benzoate CAS Name: 4-[[(4-dimethylaminophenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(4-dimethylaminophenyl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[4-(dimethylamino)benzyl]ammonio]methyl]benzoate Formula: C17H20N2O2 MolecularWeight: 284.3529

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C17H20N2O2/c1-19(2)16-9-5-14(6-10-16)12-18-11-13-3-7-15(8-4-13)17(20)21/h3-10,18H,11-12H2,1-2H3,(H,20,21)