2-azanyl-5-[4-[(dimethylazaniumyl)methyl]phenyl]benzoate

Systemtic Name: 2-azanyl-5-[4-[(dimethylazaniumyl)methyl]phenyl]benzoate Openeye Name: 2-amino-5-[4-[(dimethylammonio)methyl]phenyl]benzoate CAS Name: 2-amino-5-[4-[(dimethylammonio)methyl]phenyl]benzoate IUPAC Name: 2-amino-5-[4-[(dimethylazaniumyl)methyl]phenyl]benzoate Traditional Name: 2-amino-5-[4-[(dimethylammonio)methyl]phenyl]benzoate Formula: C16H18N2O2 MolecularWeight: 270.32632

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(C=C1)C2=CC(=C(C=C2)N)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)C2=CC(=C(C=C2)N)C(=O)[O-]

InChI

InChI=1S/C16H18N2O2/c1-18(2)10-11-3-5-12(6-4-11)13-7-8-15(17)14(9-13)16(19)20/h3-9H,10,17H2,1-2H3,(H,19,20)